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The Journal of Physical Chemistry. A
|
September 30, 2008
Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
Interplay between hydrogen bond formation and multicenter pi-electron delocalization: intermolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 6, 2007
Characterization of pericyclic reactions using multicenter electron delocalization analysis
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
February 21, 2007
A computational study on the stacking interaction in quinhydrone
María J González Moa, Marcos Mandado, Ricardo A Mosquera
Journal of Computational Chemistry
|
October 26, 2006
QTAIM N-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
Journal of Chemical Information and Modeling
|
January 20, 2023
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, et al.
Sensors (Basel, Switzerland)
|
April 24, 2019
Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective
Sara Gil-Guerrero, Nicolás Otero, Marta Queizán, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 10, 2021
Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis
Gustavo Cárdenas, Álvaro Pérez-Barcia, Marcos Mandado, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2014
Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: the pyridine case
Nicolás Ramos-Berdullas, Ignacio Pérez-Juste, Christian Van Alsenoy, et al.
Computational Biology and Chemistry
|
June 5, 2026
Characterization of the phenolate-keto oxyluciferin/luciferase interactions in the S<sub>1</sub> state by QM/MM energy decomposition analysis
Henar Mateo-delaFuente, Nuria Anguita-Ortiz, Marcos Mandado, et al.
Page
of 6
Search research articles
Search
Showing results (21-30 of 53) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. A
|
September 30, 2008
Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
The Journal of Physical Chemistry. A
|
August 2, 2008
Interplay between hydrogen bond formation and multicenter pi-electron delocalization: intermolecular hydrogen bonds
Pieterjan Lenain, Marcos Mandado, Ricardo A Mosquera, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 6, 2007
Characterization of pericyclic reactions using multicenter electron delocalization analysis
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
The Journal of Physical Chemistry. A
|
February 21, 2007
A computational study on the stacking interaction in quinhydrone
María J González Moa, Marcos Mandado, Ricardo A Mosquera
Journal of Computational Chemistry
|
October 26, 2006
QTAIM N-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles
Marcos Mandado, María J González-Moa, Ricardo A Mosquera
Journal of Chemical Information and Modeling
|
January 20, 2023
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, et al.
Sensors (Basel, Switzerland)
|
April 24, 2019
Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective
Sara Gil-Guerrero, Nicolás Otero, Marta Queizán, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 10, 2021
Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis
Gustavo Cárdenas, Álvaro Pérez-Barcia, Marcos Mandado, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2014
Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: the pyridine case
Nicolás Ramos-Berdullas, Ignacio Pérez-Juste, Christian Van Alsenoy, et al.
Computational Biology and Chemistry
|
June 5, 2026
Characterization of the phenolate-keto oxyluciferin/luciferase interactions in the S<sub>1</sub> state by QM/MM energy decomposition analysis
Henar Mateo-delaFuente, Nuria Anguita-Ortiz, Marcos Mandado, et al.
Page
of 6