Publicaciones Google Scholar de
1980 a
2024
| Título |
Fuente |
Fecha |
| NiFe2O4@ SiO2 SUPERPARAMAGNETIC NANOPARTICLES AS CONTRAST AGENTS IN IMAGE-GUIDED ADAPTIVE BRACHYTHERAPY (IGABT). |
Radiation Physics and Chemistry, 112407 , 2024 |
2024 |
| Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides |
Journal of Biomolecular Structure and Dynamics 42 (10), 4956-4984 , 2024 |
2024 |
| Ligand Impact on the Charge and Molecular Properties of 1, 2, 3-Triazole-Ce (III) Complex With Antioxidant Activity: Structure, Spectroscopy and Relationships |
Preprints , 2024 |
2024 |
| Ciencia en abierto: Química para remedios caseros |
|
2024 |
| Effect of Lanthanide Ions and Triazole Ligands on the Molecular Properties, Spectroscopy and Pharmacological Activity |
International Journal of Molecular Sciences 25 (14), 7964 , 2024 |
2024 |
| A structural, magnetic and colloidal stability study of uncoated and silica coated iron oxide samples prepared in two different surfactants |
Journal of Alloys and Compounds 1009, 176755 , 2024 |
2024 |
| Utilización de la metodología de Simulación clínica en la entrevista clínica para estudiantes de estudiantes de ciencias de la salud. |
|
2024 |
| Molecular properties of a triazole–Ce (III) complex with antioxidant activity: structure, spectroscopy, and relationships with related derivatives. Influence of the ligands in … |
Frontiers in Chemistry 12, 1450106 , 2024 |
2024 |
| Structural and Spectroscopic Study on La (III) Complex of 1, 2, 3-Triazole Ligand with Antioxidant Activity |
Preprints , 2023 |
2023 |
| Structural Study of a La (III) Complex of a 1, 2, 3-Triazole Ligand with Antioxidant Activity |
Antioxidants 12 (10), 1872 , 2023 |
2023 |
| Synthesis of new non-covered and silica-covered Y0. 9Tm0. 1-xYbxVO4 nanophosphors with emission in the visible and NIR ranges |
Journal of Luminescence 257, 119708 , 2023 |
2023 |
| Structural Study of a La (III) Complex of a 1, 2, 3-Triazole Ligand with Antioxidant Activity. Antioxidants 2023, 12, 1872 |
|
2023 |
| Effects of the Sr/Ba and Eu2+/Eu3+/Dy3+ ions content on the luminescent emission of M0. 90Eu0. 1‐xDyxZr4 (PO4) 6 nanophosphors with M= Sr or Ba and x= 0, 0.025, 0.050 and 0.075 |
Journal of Alloys and Compounds 960, 170927 , 2023 |
2023 |
| Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides |
J. of Biomolecular Structure & Dynamics , 2023 |
2023 |
| Elaboración de material audiovisual de uso en asignaturas prácticas y teórico prácticas de grados y dobles grados que tratan la química |
|
2023 |
| Base pairs with 4-amino-3-nitrobenzonitrile: comparison with the natural WC pairs. Dimer and tetramer forms, Infrared and Raman spectra, and several proposed antiviral modified … |
Journal of Biomolecular Structure and Dynamics 41 (10), 4444-4466 , 2023 |
2023 |
| Study of the Molecular Architectures of 2-(4-Chlorophenyl)-5-(Pyrrolidin-1-Yl)-2H-1, 2, 3-Triazole-4-Carboxylic Acid as the Potential Anticancer Drug by Their Vibrational … |
Preprints , 2023 |
2023 |
| Peculiarities of the Spatial and Electronic Structure of 2-Aryl-1, 2, 3-Triazol-5-Carboxylic Acids and Their Salts on the Basis of Spectral Studies and DFT Calculations |
International journal of molecular sciences 24 (18), 14001 , 2023 |
2023 |
| Synthesis of new non-covered and silica-covered Y0. 9Tm0. 1-xYbxVO4 nanophosphors with emission in the visible and NIR ranges |
Elsevier , 2023 |
2023 |
| Study of the Molecular Architectures of 2-(4-Chlorophenyl)-5-(pyrrolidin-1-yl)-2 H -1,2,3-triazole-4-carboxylic Acid Using Their Vibrational Spectra, Quantum … |
Pharmaceutics 15 (12), 2686 , 2023 |
2023 |
| Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS https://doi.org/10.1080 … , 2023 |
2023 |
| Study of the molecular architectures of 2-(4-Chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1, 2, 3-triazole-4-carboxylic acid using yheir vibrational spectra, quantum chemical … |
MDPI , 2023 |
2023 |
| Combined NMR Spectroscopy and Quantum-Chemical Calculations in Fluorescent 1, 2, 3-Triazole-4-carboxylic Acids Fine Structures Analysis |
International Journal of Molecular Sciences 24 (10), 8947 , 2023 |
2023 |
| Cuentos de Química. Vol. 1 |
ISBN: 9788416277520, Nº de páginas: 238 , 2023 |
2023 |
| Studies on the molecular structure of pterocaronol: A new biologically relevant nor-triterpenoid from Peltophorum pterocarpum (Fabaceae) |
Journal of Molecular Structure 1254, 132390 , 2022 |
2022 |
| Synthesis, structural and morphological characterization and photoluminescence study of Y0. 9Er0. 1− xYbxVO4 materials |
Journal of Alloys and Compounds 903, 163930 , 2022 |
2022 |
| Base pairs with 4-amino-3-nitrobenzonitrile: comparison with the natural WC pairs. Dimer and tetramer forms, Infrared and Raman spectra, and several proposed antiviral modified … |
Journal of Biomolecular Structure and Dynamics, 1-23 , 2022 |
2022 |
| Superparamagnetic and light-emitting bifunctional nanocomposites of iron oxide and erbium or thulium doped yttrium orthovanadate |
Journal of Alloys and Compounds 929, 167065 , 2022 |
2022 |
| Effects of shell-thickness on the powder morphology, magnetic behavior and stability of the chitosan-coated Fe3O4 nanoparticles |
boletín de la sociedad española de cerámica y vidrio 61 (4), 300-312 , 2022 |
2022 |
| How proton transfer affects the helical parameters in DNA: DNA microhelices |
Journal of Biomolecular Structure and Dynamics 40 (24), 13759-13777 , 2022 |
2022 |
| New magnetic-fluorescent bifuntional (Y0. 9Ln0. 1VO4/Fe3O4)@ SiO2 and [(Y0. 9Ln0. 1VO4@ SiO2)/Fe3O4@ SiO2] materials |
Ceramics International 48 (15), 22006-22017 , 2022 |
2022 |
| Structural and magnetic studies of NiFe2O4 and NiFe2O4@ SiO2-Silane agent samples useful for the removal of Cu2+ ions |
Journal of Alloys and Compounds 899, 163403 , 2022 |
2022 |
| Ciencia on-line de uso para la prevención y mejora de los efectos del Covid-19 |
|
2021 |
| Colección de cuentos de Química y Genética para el fomento de nuevas vocaciones científicas |
|
2021 |
| Hybrid hierarchical heterostructures of nanoceramic phosphors as imaging agents for multiplexing and living cancer cells translocation |
ACS Applied Bio Materials 4 (5), 4105-4118 , 2021 |
2021 |
| ACS Applied Biomaterials-cover: Volume 4, Issue 5 |
|
2021 |
| Comparative structural, morphological and magnetic study of MFe2O4 nanopowders prepared by different synthesis routes |
Materials Research Bulletin 123, 110726 , 2020 |
2020 |
| Canal de YouTube: https://www.youtube.com/channel/UCNG3-lLP2AetT-ksEBC0hAw |
|
2020 |
| Synthesis, structural, electrical and optical properties of LiPr(PO3)4https://doi.org/10.1016/j.jssc.2020.121459 |
Journal of Solid State Chemistry 289 (121459) , 2020 |
2020 |
| Effect of bromine atom on the different tautomeric forms of microhydrated 5-bromouracil, in the DNA: RNA microhelix and in the interaction with human proteins |
Journal of Biomolecular Structure and Dynamics 38 (18), 5443-5463 , 2020 |
2020 |
| El aprendizaje de ciencias al servicio de la inclusión educativa |
Universidad Complutense de Madrid , 2020 |
2020 |
| Synthesis, structural, electrical and optical properties of LiPr(PO3)4 https://doi.org/10.1016/j.jssc.2020.121459 |
Journal of Solid State Chemistry 289 (121459) , 2020 |
2020 |
| Degradation of human serum albumin by infrared free electron laser enhanced by inclusion of a salen-type Schiff base Zn (II) complex |
International journal of molecular sciences 21 (3), 874 , 2020 |
2020 |
| Synthesis, structural, electrical and optical properties of LiPr (PO3) 4 |
Journal of Solid State Chemistry 289, 121459 , 2020 |
2020 |
| Effect of bromine atom on the different tautomeric forms of microhydrated 5-bromouracil, in the DNA: RNA microhelix and in the interaction with human proteins |
Journal of Biomolecular Structure & Dynamics 38 (18), 5443-5463 , 2020 |
2020 |
| Developments in the application of 1, 2, 3-triazoles in cancer treatment |
Recent Patents on Anti-Cancer Drug Discovery 15 (2), 92-112 , 2020 |
2020 |
| Femtosecond laser pulse modification of gold nanorods to provide identical optical response |
International Conference on Metamaterials, Photonic Crystals and Plasmonics … , 2019 |
2019 |
| Structural transitions and bilayer formation of CTAB aggregates |
Colloids and Surfaces A: Physicochemical and Engineering Aspects 580, 123730 , 2019 |
2019 |
| Canal de youtube como ventana virtual a un laboratorio de química |
Evaluación de la calidad de la investigación y de la educación superior: XVI … , 2019 |
2019 |
| Innovación en Química y Genética, IP: Josefa Isasi, Youtube, p. El vídeo muestra los fundamentos de la espectrosco, 2019. Universidad Complutense, 2019. |
|
2019 |
| Ventana virtual a un laboratorio de química: https://www.youtube.com/channel/UCNG3-lLP2AetT-ksEBC0hAw |
|
2019 |
| Preparation and study of silica and APTES–silica-modified NiFe 2 O 4 nanocomposites for removal of Cu 2+ and Zn 2+ ions from aqueous solutions |
Journal of Sol-Gel Science and Technology 91, 596-610 , 2019 |
2019 |
| Influence of the synthesis conditions of Y 0.9 Dy 0.1 VO 4 and silica-coated Y 0.9 Dy 0.1 VO 4 nanophosphors on the powder morphology and luminescence … |
Journal of Nanoparticle Research 21, 1-13 , 2019 |
2019 |
| Investigation by DFT methods of the damage of human serum albumin including amino acid derivative schiff base Zn (II) complexes by IR-FEL irradiation |
International journal of molecular sciences 20 (11), 2846 , 2019 |
2019 |
| Effect of the sulfur atom on S2 and S4 positions of the uracil ring in different DNA: RNA hybrid microhelixes with three nucleotide base pairs |
Biopolymers 110 (3), e23247 , 2019 |
2019 |
| Ventana virtual a un laboratorio de química |
|
2019 |
| Biomolecules of 2-Thiouracil, 4-Thiouracil and 2, 4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA: RNAMicrohelixes |
International Journal of Molecular Sciences 20 (14), 3477 , 2019 |
2019 |
| Factores de Riesgo psicosocial de los conductores de una empresa de transporte |
Universidad Peruana Cayetano Heredia , 2018 |
2018 |
| Nondestructive monitoring of thermal changes in Atlantic cod (Gadus morhua) using fluorescence hyperspectral imaging |
|
2018 |
| FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine … |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 188, 418-435 , 2018 |
2018 |
| Effect of the Sulphur Atom on Geometry and Spectra of the Biomolecule 2-Thiouracil and in the WC Base Pair 2-Thiouridine-Adenosine. Influence of water in the first hydration Shell |
Journal of Biomolecular Structure and Dynamics 36 (5), 1225-1254 , 2018 |
2018 |
| Factores de riesgos psicosociales de los conductores de una empresa de transporte, 2018 |
Obtenido de http://repositorio. upch. edu. pe/bitstream/handle/upch/3572 … , 2018 |
2018 |
| Las TIC en el fomento de nuevas vocaciones científicas |
|
2018 |
| Synthesis and study of (Ca/Ba) 0.45 Eu0. 05Zr2 (PO4) 3 nanophosphors and (Ca/Ba) 0.45 Eu0. 05Zr2 (PO4) 3@ SiO2 nanostructures with blue-green emission |
Journal of Luminescence 204, 633-641 , 2018 |
2018 |
| Las TIC en el fomento de nuevas vocaciones científicas: https://www.youtube.com/channel/UCNG3-lLP2AetT-ksEBC0hAw |
|
2018 |
| FT-IR spectra of the anti-HIV nucleoside analogue d4T (Stavudine). Solid state simulation by DFT methods and scaling by different procedures |
Journal of Molecular Structure 1157, 587-601 , 2018 |
2018 |
| Tic y Yotubers para el fomento de nuevas vocaciones científicas |
Evaluación de la Calidad de la Investigación y de la Educación Superior … , 2018 |
2018 |
| Density functional theory: advances in applications |
Walter de Gruyter GmbH & Co KG , 2018 |
2018 |
| DFT computations on vibrational spectra: Scaling procedures to improve the wavenumbers |
Physical Sciences Reviews 3 (6), 20170184 , 2018 |
2018 |
| Comparative study of core-shell nanostructures based on amino-functionalized Fe3O4@ SiO2 and CoFe2O4@ SiO2 nanocomposites |
Journal of Alloys and Compounds 766, 609-618 , 2018 |
2018 |
| Química General. Ensayos virtuales |
ISBN: 9788416898541, Nº de páginas: 396 , 2017 |
2017 |
| Las TIC en investigación avanzada: técnicas de caracterización e información aportada: https://www.youtube.com/channel/UCNG3-lLP2AetT-ksEBC0hAw |
|
2017 |
| Computational Sciences |
Walter de Gruyter GmbH & Co KG , 2017 |
2017 |
| Substituent Effect of Chiraldiphenyl Salen Metal (M= Fe (II), Co (II), Ni (II), Cu (II), Zn (II)) Complexes for New Conceptual DSSC Dyes |
J. Chem 11, 135-151 , 2017 |
2017 |
| Las TIC para difusión de la investigación avanzada |
Las TIC en la enseñanza. Experiencias en la UCM: actas de la Jornada. 29 de … , 2017 |
2017 |
| Femtosecond laser reshaping yields gold nanorods with ultranarrow surface plasmon resonances |
Science 358 (6363), 640-644 , 2017 |
2017 |
| Synthesis and study of Y0. 9Ln0. 1VO4 nanophosphors and Y0. 9Ln0. 1VO4@ SiO2 luminescent nanocomposites with Ln= Eu, Dy, Er |
Ceramics International 43 (6), 5311-5318 , 2017 |
2017 |
| Computational chemistry applied to vibrational spectroscopy: A tool for characterization of nucleic acid bases and some of their 5-substituted derivatives |
Physical Sciences Reviews 2 (8), 20160132 , 2017 |
2017 |
| Las TIC en investigación avanzada: técnicas de caracterización e información aportada |
Complutense , 2017 |
2017 |
| Magnetic and structural studies of Fe3O4 nanoparticles synthesized via coprecipitation and dispersed in different surfactants |
Ceramics International 43 (13), 10333-10340 , 2017 |
2017 |
| Empleo de las TIC en el estudio de nuevos materiales y en la caracterización microscópica de células vegetales |
Evaluación de la Calidad de la Investigación y de la Educación Superior … , 2017 |
2017 |
| Empleo de las TIC como herramienta divulgativa de la metodología experimental inherente a investigaciones de interés social |
|
2016 |
| Density functional computations on 6-aminouracil: Effect of amino group in the 6th position on the Watson–Crick base pair Uridine–Adenosine |
Australian Journal of Chemistry 69 (8), 881-889 , 2016 |
2016 |
| Theoretical interpretation of polarized light-induced supramolecular orientation on the basis of normal mode analysis of azobenzene as hybrid materials in PMMA with chiral … |
Journal of Applied Solution Chemistry and Modeling 5 (1), 30-47 , 2016 |
2016 |
| Preparation of Ca0.5Zr2(PO4)3 and Ca0.45Eu0.05Zr2(PO4)3 nanopowders. Structural characterization and luminescence emission study. |
Journal of Physics D 49 , 2016 |
2016 |
| Asian Journal of Physics |
Asian Journal of Physics 25 (2), 189-219 , 2016 |
2016 |
| SPS driven lithium differential diffusion in NASICON-like structures. Difusión diferencial de Litio en estructuras tipo NASICON durante su consolidación mediante SPS |
Boletín de la Sociedad Española de Cerámica y Vidrio 55, 38 , 2016 |
2016 |
| Aprender a crecer |
ISBN: 9788416563661, 238 , 2016 |
2016 |
| Comparative study of Y0. 9Er0. 1V1− xPxO4 nanophosphors with x= 0, 0.1, 0.5, 0.9 and 1 prepared by sol-gel and hydrothermal processes |
Journal of Alloys and Compounds 687, 754-764 , 2016 |
2016 |
| 6-Aminouracil: Geometries and spectra in the isolated state and in the solid state simulation. A comparison with 5-aminouracil |
Journal of Molecular Structure 1108, 482-495 , 2016 |
2016 |
| Simulation of the solid state and the first and second hydration shell of the xanthine oxidase inhibitor allopurinol: Structures obtained using DFT and MP2 methods |
Journal of Molecular Structure 1111, 166-179 , 2016 |
2016 |
| A DFT analysis of the molecular structure, vibrational spectra and other molecular properties of 5-nitrouracil and comparison with uracil |
Journal of Molecular Structure 1106, 300-315 , 2016 |
2016 |
| A tool for characterization of nucleic acid constituents: Cytosine and Uracil |
Asian J Phys 24, 33-59 , 2015 |
2015 |
| Spark plasma versus conventional sintering in the electrical properties of Nasicon-type materials |
Journal of Alloys and Compounds 651, 636-642 , 2015 |
2015 |
| Nanopowders Y1− yNdyV1− xCrxO4 with y= 0 and 1; x= 0, 0.1, 0.2 and 0.5 synthesized by a sol–gel process. Relationship between morphological characteristics and optical properties |
Journal of Luminescence 161, 110-116 , 2015 |
2015 |
| The biomolecule of 5-chlorocytosine: Geometry of the six main tautomers in the isolated state by DFT calculations, and interpretation of the FT-IR and FT-Raman spectra in the … |
Asian Chem Letts 19, 1-25 , 2015 |
2015 |
| Síntesis, caracterización estructural y morfológica de nanofósforos Ca0, 45Eu0, 05Zr2 (PO4) 3 |
boletín de la sociedad española de cerámica y vidrio 54 (6), 236-240 , 2015 |
2015 |
| FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2, 5-dichlorobenzonitrile: DFT study |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 464-472 , 2015 |
2015 |
| Aprendizaje de la Química con soporte material y virtual |
|
2015 |
| Effects of preparation method and pH variation on the structural characteristics and luminescence properties of Y0.9Er0.1VO4 and Y0.9Er0.1V0.9Cr0.1O4 nanopowders. |
Journal of Luminescence 165, 105-114 , 2015 |
2015 |
| Conformational analysis of the anti-HIV Nikavir prodrug: comparisons with AZT and Thymidine, and establishment of structure–activity relationships/tendencies in other 6 … |
Journal of Biomolecular Structure and Dynamics 33 (4), 723-748 , 2015 |
2015 |
| Aprender acrecer |
Entrelíneas 1ª, 2ª y 3ª edición , 2014 |
2014 |
| Effect of synthesis conditions on the structural characteristics and luminescence properties of Y0. 9Eu0. 1V1− xCrxO4 (0≤ x≤ 0.5) nanopowders |
Materials Chemistry and Physics 145 (1-2), 18-26 , 2014 |
2014 |
| Conformational analysis, molecular structure and solid state simulation of the antiviral drug acyclovir (zovirax) using density functional theory methods |
Pharmaceuticals 7 (6), 695-722 , 2014 |
2014 |
| FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 430-445 , 2014 |
2014 |
| Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine … |
Physical Chemistry Chemical Physics 16 (45), 24763-24783 , 2014 |
2014 |
| Research strategies developed for the treatment of alzheimer’s disease. Reversible and pseudo-irreversible inhibitors of acetylcholinesterase: Structure-activity relationships … |
Drug design and discovery in Alzheimer's disease, 426-477 , 2014 |
2014 |
| A systematic study of Nasicon-type Li1+ xMxTi2− x (PO4) 3 (M: Cr, Al, Fe) by neutron diffraction and impedance spectroscopy |
Solid State Ionics 266, 1-8 , 2014 |
2014 |
| Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2′-deoxyuridine and the natural nucleoside 2′-deoxythymidine using MP2 and DFT methods … |
Journal of Biomolecular Structure and Dynamics 32 (5), 831-851 , 2014 |
2014 |
| FT-IR, FT-Raman spectra and other molecular properties of 2, 4-dichlorobenzonitrile: A interpretation by a DFT study |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 123, 89-97 , 2014 |
2014 |
| Anticancer drug IUdR and other 5-halogen derivatives of 2′-deoxyuridine: conformers, hydrates, and structure–activity relationships |
Structural Chemistry 25, 53-69 , 2014 |
2014 |
| Effect of synthesis conditions on the structural characteristics and luminescence properties of Y {sub 0.9} Eu {sub 0.1} V {sub 1− x} Cr {sub x} O {sub 4}(0≤ x≤ 0.5) nanopowders |
Materials Chemistry and Physics 145 , 2014 |
2014 |
| FT-IR and FT-Raman spectra of 6-chlorouracil: Molecular structure, tautomerism and solid state simulation. A comparison between 5-chlorouracil and 6-chlorouracil |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 130, 653-668 , 2014 |
2014 |
| Influence of chromium content on the optical and electrical properties of Li1+ xCrxTi2− x (PO4) 3 |
Solid State Ionics 241, 36-45 , 2013 |
2013 |
| Spectrochim ica Acta Part A: Molecular and Biomolecu lar Spect rosco py |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 111, 104-122 , 2013 |
2013 |
| Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 502-508 , 2013 |
2013 |
| Effect of the microhydration on the tautomerism in the anticarcinogenic drug 5-fluorouracil and relationships with other 5-haloderivatives |
Journal of Molecular Structure 1054, 32-45 , 2013 |
2013 |
| 2-Amino-3, 5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 110, 458-470 , 2013 |
2013 |
| FT-IR, FT-Raman spectra and other molecular properties of 3, 5-dichlorobenzonitrile: A DFT study |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 116, 509-517 , 2013 |
2013 |
| Spectra and structure of benzonitriles and some of its simple derivatives |
Asian Journal of Physics Vol 22 (3), 1-30 , 2013 |
2013 |
| Structural and luminescence characterization of synthetic Cr-doped Ni3(PO4)2. |
Journal of Physics and Chemistry of Solids. 74 (12), 1678-1682 , 2013 |
2013 |
| Simulation of a tetramer form of 5-chlorouracil: The vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 110, 404-418 , 2013 |
2013 |
| Molecular structure of the nucleoside analogue inosine using DFT methods: Conformational analysis, crystal simulations and possible behaviour |
Journal of Molecular Structure 1047, 358-371 , 2013 |
2013 |
| The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations. Identification of the tautomers in the isolated state and simulation the spectra in the … |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 111, 104-122 , 2013 |
2013 |
| Structure–activity relationships of the antiviral D4T and seven 4′-substituted derivatives using MP2 and DFT methods |
Structural Chemistry 24, 967-980 , 2013 |
2013 |
| Efecto que ejerce la temperatura y el pH en la síntesis sol-gel del ortofosfato de litio |
REDUCA 4 (2) , 2012 |
2012 |
| Preparation and characterization of Ce0.95Zr0.05O2 nanopowders obtained by sol-gel and template methods. |
Mat. Chem and Physics 136 (1), 160-166 , 2012 |
2012 |
| Preparación y estudio de conductores de litio con estructura tipo nasicon |
Universidad Complutense de Madrid , 2012 |
2012 |
| Solid state simulation of tetramer form of 5-aminoorotic acid: The vibrational spectra and molecular structure study by using MP2 and DFT calculations |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97, 948-962 , 2012 |
2012 |
| Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations |
Journal of Molecular Structure 1028, 181-195 , 2012 |
2012 |
| Preparation and characterization of Ce0. 95Zr0. 05O2 nanopowders obtained by solegel and template methods |
Elsevier , 2012 |
2012 |
| Structural and cathodoluminescent properties of Zr0.95Ce0.05O2 nanopowders prepared by sol-gel and template methods |
J. Lumin. 131 (10), 2128-2132 , 2011 |
2011 |
| Vibrational spectra, tautomerism and thermodynamics of anticarcinogenic drug: 5-Fluorouracil |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 79 (5 … , 2011 |
2011 |
| Density functional theory calculations and vibrational spectral analysis of 3, 5-(dinitrobenzoic acid) |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 78 (5 … , 2011 |
2011 |
| DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O |
Journal of computer-aided molecular design 25, 145-161 , 2011 |
2011 |
| Structure and conformational analysis of the anti-HIV AZT 5′-aminocarbonylphosphonate prodrug using DFT methods |
Chemical Physics 387 (1-3), 11-24 , 2011 |
2011 |
| Structural and cathodoluminiscent properties of Zr0. 95Ce0. 05O2 nanopowders prepared by sol–gel and template methods |
Elsevier , 2011 |
2011 |
| Tautomerism in 5-bromouracil: Relationships with other 5-haloderivatives and effect of the microhydration |
Spectroscopy Letters 44 (4), 300-306 , 2011 |
2011 |
| Scaling procedures to improve the results |
Asian Journal qf Physics Vol 20 (4), 103-123 , 2011 |
2011 |
| Hydration analysis of antiviral agent AZT by means of DFT and MP2 calculations |
The Journal of Physical Chemistry B 114 (46), 15199-15211 , 2010 |
2010 |
| Tautomerism of the natural thymidine nucleoside and the antiviral analogue D4T. Structure and influence of an aqueous environment using MP2 and DFT methods |
Physical Chemistry Chemical Physics 12 (4), 881-893 , 2010 |
2010 |
| journal homepage: www. elsevier. com/locate/theochem |
Journal of Molecular Structure: THEOCHEM 940, 140 , 2010 |
2010 |
| Synthesis of Li {sub 1}+ xM {sup I} II {sub x} Ti {sub 2}-x (PO {sub 4}){sub 3} with nasicon structure, using sol-gel methods. Study of the relationship microstructure … |
Boletin de la Sociedad Espanola de Ceramica y Vidrio 49 , 2010 |
2010 |
| Raman and Infrared Spectra of Hydrated 2, 4‐Dithiouracil Molecule |
AIP Conference Proceedings 1267 (1), 629-630 , 2010 |
2010 |
| FT-IR and FT-Raman spectra of complex of La (III) with 6-aminouracil |
AIP Conference Proceedings 1267 (1), 638 , 2010 |
2010 |
| Relationships observed in the structure and spectra of uracil and its 5-substituted derivatives |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 (4 … , 2010 |
2010 |
| Síntesis mediante química sol gel de compuestos Li_ (1+ x) M^(III) _ (x) Ti_ (2-x)(PO_ (4)) _ (3) con estructura tipo Nasicon. Estudio de la relación microestructura … |
Sociedad Española de Cerámica y Vidrio , 2010 |
2010 |
| Hydrogen Bond Analysis of L-Ascorbic Acid: Ab Initio Study |
AIP Conference Proceedings 1267 (1), 640 , 2010 |
2010 |
| Quantum chemical scaling and its importance: The infrared and Raman spectra of 5-bromouracil |
Spectroscopy Letters 43 (1), 51-59 , 2010 |
2010 |
| Tautomeric and electronic properties of biomolecule 2-thiocytosine |
International J. Current Chemistry 1 (2), 119-132 , 2010 |
2010 |
| Ab-initio calculations, FT-IR and FT-Raman spectra of 2-chloro-6-methyl benzonitrile |
CSIR , 2010 |
2010 |
| Síntesis mediante química sol gel de compuestos Li1+ xMiiixTi2-x (PO4) 3 con estructura tipo Nasicon. Estudio de la relación microestructura-propiedades eléctricas |
Boletín de la Sociedad Española de Cerámica y Vidrio 49 (1), 41-46 , 2010 |
2010 |
| FT‐IR and FT‐Raman Spectra of 2, 6‐Difluorobenzonitrile |
AIP Conference Proceedings 1267 (1), 656-657 , 2010 |
2010 |
| Simulation of a tetramer form of 5-iodouracil: The vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations |
Vibrational Spectroscopy 52 (2), 108-121 , 2010 |
2010 |
| FT-IR and FT-Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometry, atomic charges and some molecular properties of the … |
Journal of Molecular Structure: THEOCHEM 940 (1-3), 29-44 , 2010 |
2010 |
| Vibrational spectra, normal coordinate analysis and thermodynamics of 2, 5-difluorobenzonitrile |
Indian Journal of Physics 84, 151-165 , 2010 |
2010 |
| Simulation of the first hydration shell of nucleosides D4T and thymidine: structures obtained using MP2 and DFT methods |
The Journal of Physical Chemistry B 113 (8), 2458-2476 , 2009 |
2009 |
| Preparación y estudio de materiales nanoparticulados de óxido de hierro |
Sección Química de Materiales. REDUCA 1 (4) , 2009 |
2009 |
| Efecto que ejerce el método de preparación sobre la microestructura del ortofosfato de litio y titanio |
REDUCA 1 (4) , 2009 |
2009 |
| Vibrational spectra, normal coordinate analysis and thermodynamics of 2-chloro-5-nitrobenzonitrile |
CSIR , 2009 |
2009 |
| Aspectos más relevantes sobre las investigaciones realizadas en conductores iónicos rápidos con aplicación en baterías recargables |
Anales de Química 1 (4), 15 , 2009 |
2009 |
| Structure, magnetic and luminescent characteristics of Pr3+ doped ZrO2 powders synthesized by sol-gel method. |
Journal of Physics D: Applied Physics 42 (7), 075418 , 2009 |
2009 |
| PREPARATION AND CHARACTERIZATION OF INORGANIC COLOURED PIGMENTS WITHOUT TOXIC METALS |
Physical & chemical news, 21-26 , 2008 |
2008 |
| Relationship between the microstructure, structure and magnetic properties in Ni 3 (XO 4 ) 2 orthophosphate and orthovanadate obtained by two different … |
Journal of sol-gel science and technology 47, 326-334 , 2008 |
2008 |
| Adquisición de competencias y mentoría en los grupos de investigación |
Los saberes en la docencia universitaria , 2008 |
2008 |
| On the connection between the complexation and aggregation thermodynamics of oxyethylene nonionic surfactants |
The Journal of Physical Chemistry B 112 (49), 15691-15700 , 2008 |
2008 |
| Desde el conocimiento,¿ será posible motivar en el estudio? |
Eride Ediciones , 2008 |
2008 |
| Geometrical parameters, vibrational wavenumbers, and relationships established with six difluorobenzonitriles |
International Journal of Quantum Chemistry 107 (5), 1099-1114 , 2007 |
2007 |
| FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil |
Chemical Physics 340 (1-3), 17-31 , 2007 |
2007 |
| Studying the transfer process of a gemini surfactant from water to β-cyclodextrin at a molecular level |
Chemical Physics Letters 446 (1-3), 92-97 , 2007 |
2007 |
| FTIR and FT‐Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5‐bromouracil |
Journal of Raman Spectroscopy: An International Journal for Original Work in … , 2007 |
2007 |
| Synthesis, structure and magnetic properties of R–W–O–N (R= Nd and Eu) oxynitrides |
Journal of Solid State Chemistry 180 (1), 92-97 , 2007 |
2007 |
| Vibrational spectra and thermodynamics of biomolecule: 5-chlorocytosine |
CSIR , 2006 |
2006 |
| Vibrational spectra and normal coordinate analysis of 2, 5-dichlorobenzonitrile |
National Academy Science letters 29 (11-12), 445-454 , 2006 |
2006 |
| IR and Raman spectra, density functional computations of vibrational spectrum, molecular geometry, atomic charges, and some molecular properties of 3‐aminobenzonitrile molecule |
International journal of quantum chemistry 106 (8), 1885-1901 , 2006 |
2006 |
| A combined study of the magnetic properties of GdCrO4. |
Journal of Physics: Condensed Matter 18 (34), 7893-7904 , 2006 |
2006 |
| Inorganic pigments based on fluorite-type oxynitrides |
Journal of materials research 21 (06), 1427-1433 , 2006 |
2006 |
| Estudio cristalográfico y magnético de óxidos RCrO4 (R= tierra rara) |
Universidad Complutense de Madrid, Servicio de Publicaciones , 2006 |
2006 |
| Synthesis and characterization of inorganic pigments based on transition metal oxynitrides |
Journal of materials research 21 (9), 2255-2260 , 2006 |
2006 |
| Mentoría en los Laboratorios de Investigación de las Facultades de Ciencias de la UCM |
II Encuentro sobre experiencias grupales innovadoras en la docencia … , 2006 |
2006 |
| Predicting wavenumbers of vibrational spectra, its use in spectroscopy |
Asian J. Phys 15, 281-286 , 2006 |
2006 |
| Unexpected binding mode of gemini surfactants and γ-cyclodextrin: DOSY as a tool for the study of complexation |
Chemical physics letters 432 (4-6), 486-490 , 2006 |
2006 |
| 4‐Aminobenzonitrile: ab initio calculations, FTIR and Raman spectra |
Journal of Raman Spectroscopy: An International Journal for Original Work in … , 2006 |
2006 |
| Scaling factors for the prediction of vibrational spectra. II. The aniline molecule and several derivatives |
International journal of quantum chemistry 103 (4), 394-421 , 2005 |
2005 |
| Magnetic and structural properties of thulium chromate |
International Conference on Neutron Scattering 2005 , 2005 |
2005 |
| A comparative Three-dimensional neutron depolarization study on RCrO4 oxide (R = Y, Er, Tm, Yb). |
Journal of Magnetism and Magnetic Materials 288, 1-14 , 2005 |
2005 |
| Interplay between Tm {sup 3+} and Cr {sup 5+} magnetic sublattices in TmCrO {sub 4} |
Journal of Magnetism and Magnetic Materials 272 , 2004 |
2004 |
| Magnetic domains in ErCrO4 studied by 3D neutron depolarization. |
Physica B-Condense Matter 350 (1-3), e293-e296 , 2004 |
2004 |
| Laser Raman and IR spectra of complexes of lanthanide (III) with 5-aminouracil |
Science Access 2 (1), 150-151 , 2004 |
2004 |
| Influence de Cr5+ ion on the magnetic properties of YbCrO4 oxide. |
Journal of Magnetism and Magnetic Materials 272 (276), 571-573 , 2004 |
2004 |
| Geometry and vibrational spectra of 5-substituted uracils |
Asian Chem. Letts 8 (1), 81-93 , 2004 |
2004 |
| Magnetic domains in ErCrO4 studied by 3D neutron depolarisation |
Physica B: Condensed Matter 350, e293-e296 , 2004 |
2004 |
| Geometry and vibrational wavenumbers of biomolecule: 5-iodouracil |
Science Access 2 (1), 478-479 , 2004 |
2004 |
| Interplay between the Tm3+ and Cr5+ magnetic sublattices in TmCrO4. |
Journal of Magnetism and Magnetic Materials 272 (276), 568-570 , 2004 |
2004 |
| Structural and magnetic characterization of RCrO4 oxides (R = Nd, Er and Tm) |
J. Solid State Chem 171, 161 , 2003 |
2003 |
| Rare Earths Chromates: Synthesis, Structural characterization and Magnetic Properties: A Final-Year Solid State Chemistry Experiment. |
The Chemical Educator 8, 1-6 , 2003 |
2003 |
| Benzonitriles: Survey of their importance and scaling of their vibrational frequencies |
International journal of quantum chemistry 94 (4), 189-204 , 2003 |
2003 |
| Vibrational frequencies and structure of 2-thiouracil by Hartree–Fock, post-Hartree–Fock and density functional methods |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 59 (11 … , 2003 |
2003 |
| Neutron depolarization study on ErCrO4 |
|
2003 |
| Abou-Zeid, LA, 39 |
Journal of Molecular Structure (Theochem) 593, 211 , 2002 |
2002 |
| 3, 5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 58 (9 … , 2002 |
2002 |
| SPECTROSCOPTC STUDIES OF BIOLOGICALLY ACTIVE METAL COMPLEXES OF Mn (II) WITH THIOPHENE-2-THIOHYDRAZIDE |
INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY 18, 671-672 , 2002 |
2002 |
| Quantum chemical study of several monocyclic complex β‐lactam C‐3, C‐4, and N‐derivatives, and β‐ring model molecules |
International journal of quantum chemistry 89 (1), 25-47 , 2002 |
2002 |
| Quantum chemical predictions of the vibrational spectra of polyatomic molecules.: The uracil molecule and two derivatives |
Spectrochimica acta part A: Molecular and biomolecular spectroscopy 58 (3 … , 2002 |
2002 |
| SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn (II) WITH 5-AZAURACIL |
INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY 18, 673-674 , 2002 |
2002 |
| Properties, Dynamics, and Electronic Structure of Atoms and Molecules-Quantum Chemical Study of Several Monocyclic Complex b-Lactam C-3, C-4, and N-Derivatives, and b-Ring … |
International Journal of Quantum Chemistry 89 (1), 25-47 , 2002 |
2002 |
| Magnetic behaviour of ErCrO4 oxide. |
Journal of Alloys and Compounds 344 (1-2), 369-374 , 2002 |
2002 |
| Study of phenothiazine and N ‐methyl phenothiazine by infrared, raman, 1 H‐, and 13 C‐NMR spectroscopies |
International journal of quantum chemistry 89 (3), 147-171 , 2002 |
2002 |
| SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn (II) WITH 4-CHLOROURACIL |
INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY 18, 899-900 , 2002 |
2002 |
| Field-induced magnetic properties in RCrO4 oxides (R = Pr, Gd, Tb, Tm and Yb). |
Journal of Solid State Chemistry 164 (2), 313-319 , 2002 |
2002 |
| The hydration effect on the uracil frequencies: an experimental and quantum chemical study |
Journal of Molecular Structure: THEOCHEM 585 (1-3), 69-92 , 2002 |
2002 |
| SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn (II) WITH 6-AZAURACIL |
INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY 18, 643-644 , 2002 |
2002 |
| Accurate scaling of the vibrational spectra of aniline and several derivatives |
Journal of Molecular Structure: THEOCHEM 593 (1-3), 101-131 , 2002 |
2002 |
| Alkahby, HY, 199, 205 Alkorta, I., 27 Almeida, DRP, 167 |
Journal of Molecular Structure (Theochem) 585, 267 , 2002 |
2002 |
| Theoretical quantum chemical study of benzoic acid: Geometrical parameters and vibrational wavenumbers |
International journal of quantum chemistry 89 (1), 1-24 , 2002 |
2002 |
| Crystal structure of dilithium nickel disulfate, Li 2 Ni(SO 4 ) 2 |
Zeitschrift für Kristallographie-New crystal structures 216 (1-4), 353-354 , 2001 |
2001 |
| Laser Raman and IR spectra and force fields for 2, 4-dichlorobenzonitrile |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 57 (2 … , 2001 |
2001 |
| FTIR study of five complex β‐lactam molecules |
Biopolymers: Original Research on Biomolecules 62 (5), 278-294 , 2001 |
2001 |
| Ab initio calculations, FTIR and Raman spectra of 2, 3-difluorobenzonitrile |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 57 (12 … , 2001 |
2001 |
| New MM’O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties. |
Journal of Alloys and Compounds 322 (1-2), 89-96 , 2001 |
2001 |
| Structural and magnetic characterization of zircon-type PrCrO4 oxide. |
Journal of Alloys and Compounds 323, 115-118 , 2001 |
2001 |
| Crystal structure and magnetic properties of Li2Mn2(SO4)3. |
Journal of Solid State Chemistry 158 (2), 148-153 , 2001 |
2001 |
| Fourier transform Raman spectrum and ab initio and density functional computations of the vibrational spectrum, molecular geometry, atomic charges and some … |
Journal of Raman Spectroscopy 31 (7), 595-603 , 2000 |
2000 |
| Vibrational Spectra of 2-Chloro-5-Nitrobenzoic Acid |
INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY 17, 862-863 , 2000 |
2000 |
| Scaling factors for the prediction of vibrational spectra. I. Benzene molecule |
International Journal of Quantum Chemistry 77 (3), 661-684 , 2000 |
2000 |
| FTIR and FT‐Raman spectra of 5‐methyluracil (thymine) |
Journal of Raman Spectroscopy 31 (11), 1005-1012 , 2000 |
2000 |
| Vibrational spectra and thermodynamics of anthranilonitrile molecule |
NISCAIR-CSIR, India , 2000 |
2000 |
| Synthesis, structural characterization and magnetic properties of RCrO4 oxides, R = Nd, Sm, Eu and Lu |
Journal of alloys and compounds 312 (1-2), 53-59 , 2000 |
2000 |
| Synthesis, structure and conductivity study of new monovalent phosphates with the langbeinite structure. |
Solid State Ionics 133 (3-4), 303-313 , 2000 |
2000 |
| Ab initio study of geometrical structures of SiH3–XHn silanes |
Journal of Molecular Structure: THEOCHEM 528 (1-3), 269-285 , 2000 |
2000 |
| Vibrational study of α-and γ-pyridone |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Uracil molecule: the transferability of the scale factors for the prediction of the infrared spectra |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Contributory presentations/posters |
Journal of Biosciences 24, 33-198 , 1999 |
1999 |
| Vibrational study of 3-methyluracil |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Inter-relationships between the geometrical parameters of the amino group in several para-substituted anilines |
Journal of Molecular Structure: THEOCHEM 493 (1-3), 171-177 , 1999 |
1999 |
| Quantum Chemical Predictions of the NMR Spectrum of Phenothiazine and N-Methyl Phenothiazine |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Synthesis and characterisation of complex of Cu (II) with 5-azauracil |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Scaling factors for the prediction of the frequencies of the ring modes in benzene derivatives |
The Journal of Physical Chemistry A 103 (51), 11366-11377 , 1999 |
1999 |
| Geometry and frequencies of the halothane molecule |
Journal of Molecular Structure: THEOCHEM 493 (1-3), 179-185 , 1999 |
1999 |
| The prediction of vibrational spectra: The use of scale factors |
ChemInform 30 (24), no-no , 1999 |
1999 |
| Classical and Inverted Structures of SiX n H 3 - n Li and SiX n H 3 - n Na |
The Journal of Physical Chemistry A 103 (42), 8537-8542 , 1999 |
1999 |
| A comparative study of the scaled vibrational frequencies in the local anesthetics procaine, tetracaine and propoxycaine by means of semiempirical methods: AM1, PM3 and SAM1 |
Journal of Molecular Structure: THEOCHEM 459 (1-3), 239-271 , 1999 |
1999 |
| Uracil molecule: the transferability of the scale factors for the prediction of the infrared spectra |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| A reinvestigation of the molecular structure of dimethyl-N-nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and … |
Journal of molecular structure 485, 153-161 , 1999 |
1999 |
| Infrared Study of Phenothiazine and N -Methyl Phenothiazine |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Synthesis and characterisation of complex of Cu (II) with 5-carboxy-2-thiouracil |
Asian Chem. Letts 3, 248-249 , 1999 |
1999 |
| Synthesis and characterization of complex Co (II) with 6-azauracil XIII International Biophysics Congress P 180, pp. 96 Section B2: Nucleic Acids: Ribozymes and RNA Struture |
Journal of Biosciences 24, S1-96 , 1999 |
1999 |
| Synthesis and characterisation of complex of Cu (II) with 5-carboxy-2-thiouracil |
Spectroscopy of Biological Molecules: New Directions: 8th European … , 1999 |
1999 |
| Empirical correlations in vibrational spectroscopy |
Trends Appl. Spectrosc 2, 37-57 , 1998 |
1998 |
| FTIR and Raman spectra of 2, 4-difluorobenzonitrile |
ASIAN JOURNAL OF PHYSICS 7, 229-250 , 1998 |
1998 |
| Scaling procedures for the prediction of vibrational spectra |
Asian Journal of Physics Vol 7 (4), 785-816 , 1998 |
1998 |
| Study of the torsion, inversion and tilt angle variation of the amino group in some local anesthetics |
Asian Journal of Physics Vol 6 (4), 477-491 , 1997 |
1997 |
| Raman spectrum of procaine hydrochloride |
Spectroscopy letters 30 (6), 975-998 , 1997 |
1997 |
| Infrared Scaled Frequencies by Semiempirical Methods in Several Local Anesthetics of Procaine Type |
Spectroscopy of Biological Molecules: Modern Trends, 541-542 , 1997 |
1997 |
| Ab initio calculations of the structure and inversion barriers of chloramide, H2NCl, and N-chloro-N-methylmethanamine,(CH3) 2NCl |
Journal of Molecular Structure: THEOCHEM 417 (3), 215-221 , 1997 |
1997 |
| Frequencies and Structure of the 1, 3-Deimethyluracil Devier |
Spectroscopy of Biological Molecules: Modern Trends, 215-216 , 1997 |
1997 |
| A Study of Para -Aminobenzoic Acid: Structure, Frequencies, Torsion and Inversion Barriers of the Amino Group |
Spectroscopy of Biological Molecules: Modern Trends, 535-536 , 1997 |
1997 |
| Vibrational Analysis and Geometry Optimization of a Local Anesthetic by Means of the Am1 Semiempirical Method |
Spectroscopy letters 30 (6), 1089-1108 , 1997 |
1997 |
| Neutral and Dipolar forms of Meta-Aminobenzoic Acid |
Spectroscopy of Biological Molecules: Modern Trends, 537-538 , 1997 |
1997 |
| Joint Use of AB Initio Calculations, Vibrational Spectroscopy, Electron Diffraction, and Microwave Data in the Investigation of the Structure and Intramolecular Dynamics of 1 … |
Spectroscopy of Biological Molecules: Modern Trends, 539-540 , 1997 |
1997 |
| Effect of Electron Correlation on Interpretation of Vibrational Spectra and on Energy Barrier and Structural Parameter Estimates for Simplest Amines |
Spectroscopy of Biological Molecules: Modern Trends, 543-544 , 1997 |
1997 |
| Far-infrared of the local anesthetic procaine |
Spectroscopy letters 30 (8), 1495-1514 , 1997 |
1997 |
| Structures and Spectral Characteristics of Silylborane, Silylaluminum Hydride, Silylphosphine, and Silyl Mercaptan |
Spectroscopy letters 30 (2), 379-402 , 1997 |
1997 |
| Interpretation of the vibrational spectra of chloramide, H2NCl, on the basis of post-Hartree-Fock force field |
Journal of Molecular Structure: THEOCHEM 417 (1-2), 187-193 , 1997 |
1997 |
| Synthesis magnetic and electrical properties of new ternary chromium oxides with the rutile structure. |
Journal Materials Science letters 15 (12), 1022-1024 , 1996 |
1996 |
| Tilt angle variation with the torsion of the p-amino group in some local anesthetics |
Revue Roumaine de Chimie 41 (5-6), 481-487 , 1996 |
1996 |
| Ab initio calculations of the geometric parameters of the dimeric and trimeric forms of H~ 3SiF |
ASIAN JOURNAL OF PHYSICS 5, 475-486 , 1996 |
1996 |
| Ionic conductivity of a new defect pyrochlore. |
Solid State Ionics 89 (3-4), 321-326 , 1996 |
1996 |
| Solid solutions with rutile structure: electronic behaviour and ultraviolet photoelectron spectrometry study. |
Journal of Materials Science 31 (24), 6609-6614 , 1996 |
1996 |
| Meta-aminobenzoic acid: structures and spectral characteristics |
Spectroscopy letters 29 (4), 609-629 , 1996 |
1996 |
| Vibrational Spectra and Structure of Diphenylacetilenes |
Spectroscopy letters 29 (2), 241-266 , 1996 |
1996 |
| Torsion-inversion motion study of the amino group in some local anesthetics |
Revue Roumaine de Chimie 41 (3-4), 223-230 , 1996 |
1996 |
| Ab initio calculations of the geometric parameters of the dimeric and trimeric forms of HSiF |
Asian Journal of Physics Vol 5 (4), 475-486 , 1996 |
1996 |
| Synthesis and structural characterization of solid solutions Li3XLa(1-X)VO4 (0 x 0.3), monazite-type. |
Journal of Materials Science 31 (17), 4689-4692 , 1996 |
1996 |
| Structure and conductivity of RhVO4: Relationship between the MM´O4 oxides derived from the rutile type. |
Journal Alloys and Compounds 232 (1-2), 36-42 , 1996 |
1996 |
| Structural characterization and electrical properties of a novel defect pyrochlore. |
Journal of Solid State Chemistry 116 (2), 290-295 , 1995 |
1995 |
| Inversion transitions of amino group in the local ansthetic benzocaine |
Revue Roumaine de Chimie 40, 191-191 , 1995 |
1995 |
| Ab Initio Study of the. beta.-Lactam Ring in 2-Azetidinone and 3-Methyl-2-Azetidinone. Characterization of the Ring Fundamental Vibrations |
The Journal of Physical Chemistry 99 (4), 1124-1133 , 1995 |
1995 |
| Characterization of the β-Lactam Ring Fundamental Vibrations by Ab Initio and FT-IR Methods |
Spectroscopy of Biological Molecules: 6th European Conference on the … , 1995 |
1995 |
| Synthesis, magnetic and electronic properties of mixed oxides of antimony with the rutile structure. |
Journal. Mater. Chem. 5 (6), 871-874 , 1995 |
1995 |
| Calculated geometries, frequencies, and energetics of several silanes H3SiX (X= Li, Na, BeH and MgH) |
Asian Journal of Physics Vol 4 (3), 169-179 , 1995 |
1995 |
| Vibrational frequencies, conformations and geometry of procaine |
Vibrational spectroscopy 6 (2), 149-165 , 1994 |
1994 |
| Infrared and Raman study of the local anesthetic procaine |
Spectroscopy letters 27 (5), 613-638 , 1994 |
1994 |
| Spectroscopy of p -Methoxybenzoic Acid: An AM1 and ab Initio Study |
Applied spectroscopy 48 (1), 27-36 , 1994 |
1994 |
| Elsevier Science BV |
Journal of Molecular Structure (Theochem) 304, 281 , 1994 |
1994 |
| Inverse bond length/bond angle relationships: Part 6. An ab initio survey of behavioral types |
Journal of Molecular Structure: THEOCHEM 304 (3), 261-267 , 1994 |
1994 |
| Eclipsed and staggered conformations of (SIH3) 2F+: An ab initio study |
International journal of quantum chemistry 50 (1), 69-90 , 1994 |
1994 |
| Óxidos mixtos de alta simetría: caracterización estructural y propiedades fisicoquímicas |
Universidad Complutense de Madrid , 1994 |
1994 |
| Dimer form of 1,3‐dimethyluracil studied by the AM 1 semiempirical method |
International journal of quantum chemistry 51 (3), 141-159 , 1994 |
1994 |
| Synthesis, characterization and semiconducting properties of solid solutions with rutile structure. |
Mater. Res. Bull. 29 (8), 861-869 , 1994 |
1994 |
| Infrared and Raman spectra, vibrational assignment and barrier to torsion and inversion in the p-amino group of procaine hydrochloride |
Indian journal of pure & applied physics 31, 90-101 , 1993 |
1993 |
| Theoretical prediction of the vibrational spectrum, geometry, and scaled quantum mechanical (SQM) force field of phenylsilane, C6H5SiH3 |
Journal of Molecular Structure: THEOCHEM 284 (1-2), 23-35 , 1993 |
1993 |
| Infrared and Raman study of benzocaine hydrochloride |
Spectroscopy letters 26 (8), 1395-1415 , 1993 |
1993 |
| THEORETICAL DETERMINATION OF INVERSION FREQUENCY OF THE AMINO GROUP IN BENZOCAINE AND PROCAINE |
REVUE ROUMAINE DE CHIMIE 38 (11), 1371-1384 , 1993 |
1993 |
| Nonempirical quantum chemical calculation for nitramide, its chloro-and methyl-substituted derivatives. I. Structure of equilibrium forms |
Journal of Structural Chemistry 34 (1), 2-8 , 1993 |
1993 |
| Inversion frequency calculations in the amino group of Some |
Asian Journal of Physics Vol 2 (2), 72-80 , 1993 |
1993 |
| Structure and spectral characteristics of o-aminobenzoic acid by AM1 |
Vibrational spectroscopy 6 (1), 95-105 , 1993 |
1993 |
| RAMAN-SPECTRA OF THE LOCAL-ANESTHETICS BENZOCAINE AND PROCAINE (FREE BASES) |
REVUE ROUMAINE DE CHIMIE 38 (5), 573-584 , 1993 |
1993 |
| An AM1 study of structure and conformational isomerism in bicyclo [3.3. 1] nonane and several 3, 7-diaza derivatives |
Journal of Molecular Structure: THEOCHEM 285 (1), 33-46 , 1993 |
1993 |
| A comparative study of the procaine—H+ structures. Interpretation of the procaine hydrochloride spectra by AM1 |
Journal of Molecular Structure: THEOCHEM 262, 7-20 , 1992 |
1992 |
| Vibrational spectra of benzocaine |
Indian journal of pure & applied physics 30, 59-66 , 1992 |
1992 |
| Procaine hydrochloride. Theoretical calculation of the torsion inversion frequencies within the p-amino group (in Spanish) |
REVUE ROUMAINE DE CHIMIE 37, 541-541 , 1992 |
1992 |
| AM1 study of several diazabicyclanones |
Journal of Molecular Structure: THEOCHEM 262, 21-37 , 1992 |
1992 |
| Conformational study of several diazabicyclanols by the AM1 method |
Journal of Molecular Structure: THEOCHEM 257 (3-4), 259-278 , 1992 |
1992 |
| PROCAINE HYDROCHLORIDE-THEORETICAL CALCULATION OF THE TORSION INVERSION FREQUENCIES WITHIN THE PARA-AMINO GROUP |
Revue Roumaine de Chimie 37 (5), 541-553 , 1992 |
1992 |
| Synthesis and structure determination of a new phase in the La2O3 Li2O Sb2O5 system |
Journal of the Less Common Metals 167 (2), 381-385 , 1991 |
1991 |
| Síntesis y estructura cristalina de algunos óxidos mixtos de Sb(V) con estructura tipo perovskita. |
Anales de Química 87 (8), 959-962 , 1991 |
1991 |
| Elsevier Science Publishers BV, Amsterdam |
Journal of Molecular Structure (Theochem) 228, 353 , 1991 |
1991 |
| SYNTHESIS AND STRUCTURE DETERMINATION OF THE NEW PHASES LN3LI5SB2O12 (LN= LA, PR, ND, SM, EU) |
ANALES DE QUIMICA 87 (8), 956-958 , 1991 |
1991 |
| Synthesis and structural characterization of Sb (V) oxides with rutile and trirutile structures |
Anales de Química 87 (8), 966-969 , 1991 |
1991 |
| Conformational changes by ring puckering and inversion in 1, 3, 2-dioxaphospholene |
Journal of Molecular Structure: THEOCHEM 228, 315-322 , 1991 |
1991 |
| Akin, AC, 173 Alden, RG, 11 Almoster Ferreira, MA 181 |
Journal of Molecular Structure 249, 397 , 1991 |
1991 |
| Synthesis, structural determination and magnetic behaviour of the YxGd1-xVO4 (x = 0.25, 0.5 and 0.75). |
Journal of Alloys and Compounds 177 (1), 143-147 , 1991 |
1991 |
| SYNTHESIS AND CRYSTAL-STRUCTURE OF MIXED SB (V) OXIDES WITH PEROVSKITE-TYPE STRUCTURE |
ANALES DE QUIMICA 87 (8), 959-962 , 1991 |
1991 |
| Síntesis y caracterización estructural de óxidos mixtos de Sb(V) tipo rutilo y trirutilo. |
Anales de Química 87 (8), 966-969 , 1991 |
1991 |
| New antimoniate-vanadate with the rutile structure. |
Journal Mater Chem. 1 (6), 1027-1029 , 1991 |
1991 |
| Synthesis, structure determination and magnetic susceptibilities of the oxides Ln sub 3 Li sub 5 Sb sub 2 O sub 12 (Lntriple bondPr, Nd, Sm).[PrLiSbO; NdLiSbO; SmLiSbO] |
Journal of Alloys and Compounds;(Switzerland) 177 (2) , 1991 |
1991 |
| Structural and vibrational study of the 3, 7-dimethyl-3, 7-diazabicyclo [3.3. 1] nonan-9-ol molecule by the AM1 method |
Journal of molecular structure 249 (2-4), 313-325 , 1991 |
1991 |
| Síntesis y caracterización estructural de nuevas fases de Ln3Li5Sb2O12 (Ln = La, Pr, Nd, Sm y Eu). |
Anales de Química 87 (8), 956-958 , 1991 |
1991 |
| Synthesis, structure determination and magnetic susceptibilities of the oxides Ln3Li5Sb2O12 (Ln = Pr, Nd and Sm). |
Journal of Alloys and Compounds 177 (2), 251-257 , 1991 |
1991 |
| Synthesis and structural characterization of Hg3 (BO3)2 |
Journal of Materials Science Letters 10 (11), 635-637 , 1991 |
1991 |
| TORSIONAL AND INVERSION POTENTIAL FUNCTION OF AMINO GROUP |
REVUE ROUMAINE DE CHIMIE 34 (8), 1667-1675 , 1989 |
1989 |
| Raman spectra and vibrational analysis for benzocaine |
Journal of Raman spectroscopy 20 (12), 765-771 , 1989 |
1989 |
| between zyxwvutsrqponmlkjihgfe |
JOURNAL OF RAMAN SPECTROSCOPY 20, 76S771 , 1989 |
1989 |
| Calculation of the transitions in the amine inversion vibration of some local anesthetics |
Journal of Molecular Structure 175, 81-84 , 1988 |
1988 |
| Synthesis and magnetic properties of crystalline CrVO4. |
Mater. Res. Bull. 23 (4), 595-601 , 1988 |
1988 |
| Estudio vibracional de algunos anestésicos locales |
Universidad Complutense de Madrid , 1988 |
1988 |
