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The Journal of Physical Chemistry. A
|
November 17, 2006
Computational study of noncovalent complexes between formamide and formic acid
Elsa Sánchez-García, Luis A Montero, Wolfram Sander
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2005
Noncovalent complexes between dimethyl ether and formic acid--an ab initio and matrix isolation study
Elsa Sánchez-García, Marc Studentkowski, Luis A Montero, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
A DFT periodic study on the interaction between O2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gap
Yoana Pérez-Badell, Xavier Solans-Monfort, Mariona Sodupe, et al.
The Journal of Physical Chemistry. A
|
February 29, 2008
An approach to hydration of model silica materials by exploring their multiple minima hypersurfaces. The role of entropy of association
Luis A Montero-Cabrera, Y Pérez-Badell, M J Mora-Fonz
Journal of Molecular Graphics & Modelling
|
March 2, 2010
Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivity
Yoana Pérez-Badell, Rachel Crespo-Otero, Enrique Méndez-Vega, et al.
The Journal of Physical Chemistry. A
|
December 22, 2006
Furan-formic acid dimers: an ab initio and matrix isolation study
Elsa Sánchez-García, Arthur Mardyukov, Marc Studentkowski, et al.
Journal of Chemical Information and Modeling
|
September 19, 2019
Quality Threshold Clustering of Molecular Dynamics: A Word of Caution
Roy González-Alemán, David Hernández-Castillo, Julio Caballero, et al.
The Journal of Physical Chemistry. A
|
January 11, 2023
1,3 Dipolar Cycloaddition of Münchnones: Factors behind the Regioselectivity
Meylin Bocalandro, Juan J González Armesto, Luis A Montero-Cabrera, et al.
Journal of Chemical Theory and Computation
|
March 6, 2023
Electronic Descriptors for Supervised Spectroscopic Predictions
Carlos Manuel de Armas-Morejón, Luis A Montero-Cabrera, Angel Rubio, et al.
The Journal of Physical Chemistry. A
|
April 1, 2025
Oligothiophene-Based Photovoltaic Materials for Organic Solar Cells: Exciton Properties by the CNDOL Fockian Approach
Alberto Guerra-Barroso, Yoana Pérez-Badell, Ana L Montero-Alejo, et al.
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Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
November 17, 2006
Computational study of noncovalent complexes between formamide and formic acid
Elsa Sánchez-García, Luis A Montero, Wolfram Sander
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2005
Noncovalent complexes between dimethyl ether and formic acid--an ab initio and matrix isolation study
Elsa Sánchez-García, Marc Studentkowski, Luis A Montero, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
A DFT periodic study on the interaction between O2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gap
Yoana Pérez-Badell, Xavier Solans-Monfort, Mariona Sodupe, et al.
The Journal of Physical Chemistry. A
|
February 29, 2008
An approach to hydration of model silica materials by exploring their multiple minima hypersurfaces. The role of entropy of association
Luis A Montero-Cabrera, Y Pérez-Badell, M J Mora-Fonz
Journal of Molecular Graphics & Modelling
|
March 2, 2010
Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivity
Yoana Pérez-Badell, Rachel Crespo-Otero, Enrique Méndez-Vega, et al.
The Journal of Physical Chemistry. A
|
December 22, 2006
Furan-formic acid dimers: an ab initio and matrix isolation study
Elsa Sánchez-García, Arthur Mardyukov, Marc Studentkowski, et al.
Journal of Chemical Information and Modeling
|
September 19, 2019
Quality Threshold Clustering of Molecular Dynamics: A Word of Caution
Roy González-Alemán, David Hernández-Castillo, Julio Caballero, et al.
The Journal of Physical Chemistry. A
|
January 11, 2023
1,3 Dipolar Cycloaddition of Münchnones: Factors behind the Regioselectivity
Meylin Bocalandro, Juan J González Armesto, Luis A Montero-Cabrera, et al.
Journal of Chemical Theory and Computation
|
March 6, 2023
Electronic Descriptors for Supervised Spectroscopic Predictions
Carlos Manuel de Armas-Morejón, Luis A Montero-Cabrera, Angel Rubio, et al.
The Journal of Physical Chemistry. A
|
April 1, 2025
Oligothiophene-Based Photovoltaic Materials for Organic Solar Cells: Exciton Properties by the CNDOL Fockian Approach
Alberto Guerra-Barroso, Yoana Pérez-Badell, Ana L Montero-Alejo, et al.
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of 3