Tipo Producción |
Título |
Autor |
Año de Producción |
DOI |
Revista |
Fuente |
Cuartil de ScimagoJR o JCR* |
Artículo en revista científica
|
Adsorption of a Ni single atom catalyst on a pristine nanographene (coronene) and H-H activation. A theoretical study of Ni-SAC
|
Bentarcurt Y.
|
2024
|
10.1016/J.CPLETT.2024.141115
|
Chemical Physics Letters
|
|
2024: No disponible**, 2020: Q2
|
Journal - Article
|
Theoretical Study of Cyanidin-Resveratrol Copigmentation by the Functional Density Theory
|
Chavez, Breyson Yaranga | Paz, Jose L. | Gonzalez-Paz, Lenin A. | Alvarado, Ysaias J. | Contreras, Julio Santiago | Lorono-Gonzalez, Marcos A.
|
2024
|
10.3390/MOLECULES29092064
|
MOLECULES
|
|
2024: No disponible**, 2020: Q2
|
Artículo en revista científica
|
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT
|
Alvarado Y.J.
|
2022
|
10.1016/J.COMPBIOLCHEM.2022.107692
|
Computational Biology and Chemistry
|
|
Q2
|
Artículo en revista científica
|
Comparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors
|
González-Paz L.
|
2022
|
10.1016/j.compbiomed.2022.105245
|
Computers in Biology and Medicine
|
|
Q1
|
Artículo en revista científica
|
A kinetic model for the equilibrium dynamics of absorption and scattering processes in four-wave mixing spectroscopy
|
Paz J.L.
|
2022
|
10.1063/5.0086769
|
AIP Advances
|
|
2022: No disponible**, 2020: Q2
|
Artículo en revista científica
|
Nonlinear optical responses of molecular systems with vibronic coupling in fluctuating environments
|
Paz J.L.
|
2022
|
10.1142/S0218863521500119
|
Journal of Nonlinear Optical Physics and Materials
|
|
Q3
|
Artículo en revista científica
|
Propagation and Parametric Amplification in Four-Wave Mixing Processes: Intramolecular Coupling and High-Order Effects
|
Paz J.L.
|
2022
|
10.3390/sym14020301
|
Symmetry
|
|
Q2
|
Artículo en revista científica
|
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach
|
González-Paz L.
|
2021
|
10.1016/j.bpc.2021.106677
|
Biophysical Chemistry
|
|
Q2
|
Artículo en revista científica
|
Theoretical study on the flash vacuum gas-phase pyrolysis reaction mechanism of 2-(2-benzylidenehydrazinyl)pyridine and analogous
|
Cuesta S.A.
|
2021
|
10.1016/j.comptc.2021.113297
|
Computational and Theoretical Chemistry
|
|
Q3
|
Artículo en revista científica
|
Absorptive and dispersive responses in a two-level molecule with vibronic coupling: Permanent dipole moments effects
|
Paz J.L.
|
2021
|
10.1016/j.cplett.2021.138885
|
Chemical Physics Letters
|
|
Q2
|
Artículo en revista científica
|
Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models
|
González-Paz L.
|
2021
|
10.1016/j.molliq.2021.117284
|
Journal of Molecular Liquids
|
|
Q1
|
Artículo en revista científica
|
Solvent randomness and intramolecular considerations of optical responses in four-wave mixing
|
Paz J.L.
|
2021
|
10.1080/09500340.2021.1976856
|
Journal of Modern Optics
|
|
Q3
|
Artículo en revista científica
|
Synthesis, characterization, density functional theory calculations, and in vitro antibacterial activity of novel transition metal complexes containing an O<inf>3</inf>-tridentate amoxicillin-based Schiff base: A silver(II) complex as alternative aga
|
Anacona J.R.
|
2020
|
10.1002/aoc.5755
|
Applied Organometallic Chemistry
|
|
Q2
|
Artículo en revista científica
|
Antibacterial activity of transition metal complexes containing a tridentate NNO phenoxymethylpenicillin-based Schiff base. An anti-MRSA iron (II) complex
|
Anacona J.
|
2019
|
10.1002/aoc.4744
|
Applied Organometallic Chemistry
|
|
Q2
|
Artículo en revista científica
|
Tetradentate metal complexes derived from cephalexin and 2,6-diacetylpyridine bis(hydrazone): Synthesis, characterization and antibacterial activity
|
Anacona J.R.
|
2015
|
10.1016/j.saa.2015.04.054
|
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
|
|
Q1
|
Artículo en revista científica
|
Theoretical calculations on the gas-phase thermal decomposition kinetics of selected thiomethyl chloroalkanes: A new insight of the mechanism
|
Luiggi M.
|
2014
|
10.1016/j.comptc.2013.11.011
|
Computational and Theoretical Chemistry
|
|
Q2
|
Artículo en revista científica
|
High-resolution stimulated Raman spectroscopy and analysis of the ν<inf>2</inf> and ν<inf>3</inf> bands of C<inf>2</inf>H<inf>4</inf>
|
Ballandras A.
|
2013
|
10.1002/jrs.4328
|
Journal of Raman Spectroscopy
|
|
Q1
|
Artículo en revista científica
|
Theoretical study on thermal decomposition kinetics of allyl formates in the gas phase
|
Mora J.
|
2013
|
10.1016/j.comptc.2013.06.013
|
Computational and Theoretical Chemistry
|
|
Q2
|
Conference Paper
|
DFT studies of homogeneous catalysis in the gas phase: Dehydration kinetics of several tertiary alcohols with hydrogen chloride
|
Mora J.
|
2012
|
10.1002/qua.23145
|
International Journal of Quantum Chemistry
|
|
No Aplica
|
Artículo en revista científica
|
Theoretical study of methoxy group influence in the gas-phase elimination kinetics of methoxyalkyl chlorides
|
Brea O.
|
2012
|
10.1002/qua.23244
|
International Journal of Quantum Chemistry
|
|
Q2
|
Artículo en revista científica
|
Quantum chemical calculations of the thermal isomerization of 2-methyl-4,5-dihydrofuran
|
Brea O.
|
2012
|
10.1016/j.comptc.2012.05.032
|
Computational and Theoretical Chemistry
|
|
Q2
|
Artículo en revista científica
|
Theoretical calculations on the mechanisms of the gas-phase elimination kinetics of 2-chloro-1-phenylethane, 3-chloro-1-phenylpropane, 4-chloro-1-phenylbutane, 5-chloro-1-phenylpentane, and their corresponding chloroalkanes: The effect of the phenyl
|
Maldonado A.
|
2011
|
10.1002/kin.20548
|
International Journal of Chemical Kinetics
|
|
Q2
|
Artículo en revista científica
|
High-resolution stimulated Raman spectroscopy and analysis of the 2ν<inf>10</inf> overtone symmetric motion of C<inf>2</inf>H<inf>4</inf>
|
Loroño M.
|
2009
|
10.1002/jrs.2239
|
Journal of Raman Spectroscopy
|
|
Q1
|
Artículo en revista científica
|
Theoretical studies of the gas-phase pyrolysis kinetics of ω-bromonitriles, ZCH<inf>2</inf>CH<inf>2</inf>Br [Z = NC, NCCH <inf>2</inf>, NCCH<inf>2</inf>CH<inf>2</inf>]
|
Rojas J.R.
|
2009
|
10.1002/kin.20392
|
International Journal of Chemical Kinetics
|
|
Q2
|
Artículo en revista científica
|
Theoretical calculations for neighboring group participation in gas-phase elimination kinetics of 2-hydroxyphenethyl chloride and 2-methoxyphenethyl chloride
|
Brusco Y.
|
2009
|
10.1002/poc.1552
|
Journal of Physical Organic Chemistry
|
|
Q2
|
Artículo en revista científica
|
MP2 study of the gas phase elimination mechanism of some neutral amino acids and their ethyl esters
|
Pérez J.
|
2008
|
10.1002/poc.1364
|
Journal of Physical Organic Chemistry
|
|
Q2
|
Artículo en revista científica
|
Theoretical calculations of the thermal decomposition kinetics of several tert-nitroalkanes in the gas phase
|
Serrano A.
|
2008
|
10.1016/j.theochem.2008.03.001
|
|
|
S/C***
|
Artículo en revista científica
|
Theoretical studies on the gas-phase elimination kinetics of 2-arylethyl N,N-dimethylcarbamates [(CH<inf>3</inf>)<inf>2</inf>NCOOCH<inf>2</inf>CH<inf>2</inf>Z, Z = 4-CH<inf>3</inf>C<inf>6</inf>H<inf>4</inf>, 4-CH<inf>3</inf>OC<inf>6</inf>H<inf>4</inf
|
Castellar H R.J.
|
2007
|
10.1016/j.theochem.2006.11.035
|
|
|
S/C***
|
Conference Paper
|
Ab initio calculations of the gas-phase elimination kinetics of ethyl oxamate, ethyl oxanilate, and ethyl N,N-dimethyl oxamate
|
Mora J.
|
2006
|
10.1002/poc.1049
|
Journal of Physical Organic Chemistry
|
|
No Aplica
|
JOURNAL_ARTICLE
|
Theoretical study of the gas phase unimolecular elimination kinetics of 2-substituted electron-withdrawing groups of ethyl N,N-dimethylcarbamates
|
|
2006
|
10.1016/j.theochem.2006.01.038
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Theoretical study of the gas phase unimolecular elimination kinetics of 2-substituted electron-withdrawing groups of ethyl N,N-dimethylcarbamates
|
Ruiz C A.J.
|
2006
|
10.1016/j.theochem.2006.01.038
|
|
|
S/C***
|
Artículo en revista científica
|
Ab initio and DFT studies on the elimination kinetics 2-substituted ethyl N,N-dimethylcarbamates [(CH<inf>3</inf>)<inf>2</inf>NCOOCH<inf>2</inf>CH<inf>2</inf>Z, Z=CH<inf>2</inf>C<inf>6</inf>H<inf>5</inf>, C<inf>6</inf>H<inf>5</inf>, C(CH<inf>3</inf>)
|
Marcano B C.J.
|
2006
|
10.1016/j.theochem.2006.03.003
|
|
|
S/C***
|
JOURNAL_ARTICLE
|
Theoretical study of the elimination kinetics of several 2-substituted ethyl N,N-dimethylcarbamates in the gas phase, [(CH<inf>3</inf>)<inf>2</inf>NCOOCH<inf>2</inf>CH<inf>2</inf>Z, Z=CH<inf>2</inf>Cl, C≡CH, C≡N]
|
|
2006
|
10.1016/j.theochem.2006.05.049
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Theoretical study of the elimination kinetics of several 2-substituted ethyl N,N-dimethylcarbamates in the gas phase, [(CH<inf>3</inf>)<inf>2</inf>NCOOCH<inf>2</inf>CH<inf>2</inf>Z, Z=CH<inf>2</inf>Cl, C≡CH, C≡N]
|
Heredia R. M.M.
|
2006
|
10.1016/j.theochem.2006.05.049
|
|
|
S/C***
|
Artículo en revista científica
|
MP2 study of substituent effects of 2-substituted alkyl ethyl methylcarbamates in homogeneous, unimolecular gas phase elimination reaction
|
Ruiz Gonzalez J.M.
|
2005
|
10.1016/j.theochem.2005.07.009
|
|
|
S/C***
|
JOURNAL_ARTICLE
|
High-resolution fourier transform and diode-laser spectroscopy of the v<inf>6</inf> fundamental of c<inf>2</inf>f<inf>6</inf> and associated hot bands
|
|
2000
|
10.1006/jmsp.2000.8228
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
High-resolution fourier transform and diode-laser spectroscopy of the v<inf>6</inf> fundamental of c<inf>2</inf>f<inf>6</inf> and associated hot bands
|
Ward K.M.
|
2000
|
10.1006/jmsp.2000.8228
|
Journal of Molecular Spectroscopy
|
|
Q1
|
JOURNAL_ARTICLE
|
Infrared laser absorption spectroscopy of the v<inf>7</inf> band of jet-cooled iron pentacarbonyl
|
|
2000
|
10.1016/S0022-2860(99)00301-4
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Infrared laser absorption spectroscopy of the v<inf>7</inf> band of jet-cooled iron pentacarbonyl
|
Loroño M.
|
2000
|
10.1016/S0022-2860(99)00301-4
|
Journal of Molecular Structure
|
|
Q2
|
Artículo en revista científica
|
High-resolution laser spectroscopy of the v<inf>6</inf> fundamental band of jet-cooled C<inf>2</inf>F<inf>6</inf>
|
Loroño M.
|
2000
|
10.1021/jp000737a
|
Journal of Physical Chemistry A
|
|
Q1
|
JOURNAL_ARTICLE
|
High-resolution laser spectroscopy of the v<inf>6</inf> fundamental band of jet-cooled C<inf>2</inf>F<inf>6</inf>
|
|
2000
|
10.1021/jp000737a
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Infrared laser jet spectroscopy of the v<inf>6</inf> fundamental band of W(CO)<inf>6</inf>: Rotational structure and octahedral splitting
|
Hansford G.
|
2000
|
10.1063/1.480515
|
Journal of Chemical Physics
|
|
Q1
|
JOURNAL_ARTICLE
|
Infrared laser jet spectroscopy of the v<inf>6</inf> fundamental band of W(CO)<inf>6</inf>: Rotational structure and octahedral splitting
|
|
2000
|
10.1063/1.480515
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Infrared laser jet spectroscopy of the v<inf>11</inf> fundamental band of Fe(CO)<inf>5</inf>
|
Loroño M.
|
1999
|
10.1080/002689799163532
|
Molecular Physics
|
|
Q1
|
JOURNAL_ARTICLE
|
Infrared laser jet spectroscopy of the v<inf>11</inf> fundamental band of Fe(CO)<inf>5</inf>
|
|
1999
|
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Coriolis coupling constants and inertial defect of B<inf>2</inf>F<inf>4</inf> by ab initio calculations and the iterative method
|
Loroño M.
|
1998
|
10.1139/v97-209
|
|
|
1998: No disponible**, 1999: Q2
|
JOURNAL_ARTICLE
|
Coriolis coupling constants and inertial defect of B<inf>2</inf>F<inf>4</inf> by ab initio calculations and the iterative method
|
|
1998
|
10.1139/v97-209
|
|
Scopus - Elsevier a través de ORCID
|
|
JOURNAL_ARTICLE
|
Harmonic force constants of boron trihalides and some mixed halides of boron
|
|
1994
|
10.1016/0166-1280(94)80026-X
|
|
Scopus - Elsevier a través de ORCID
|
|
Artículo en revista científica
|
Harmonic force constants of boron trihalides and some mixed halides of boron
|
Anacona J.
|
1994
|
10.1016/0166-1280(94)80026-X
|
|
|
S/C***
|