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Journal of Chemical Theory and Computation
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November 19, 2015
Robust, basis-set independent method for the evaluation of charge-transfer energy in noncovalent complexes
Jan Řezáč, Aurélien de la Lande
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2023
On the Role of Charge Transfer in Many-Body Non-Covalent Interactions
Jan Řezáč, Aurélien de la Lande
Physical Chemistry Chemical Physics : PCCP
|
December 9, 2016
On the role of charge transfer in halogen bonding
Jan Řezáč, Aurélien de la Lande
The Journal of Chemical Physics
|
May 10, 2019
Multicomponent density functional theory with density fitting
Daniel Mejía-Rodríguez, Aurélien de la Lande
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2021
The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate
Aurélien de la Lande, Sergey Denisov, Mehran Mostafavi
Physical Chemistry Chemical Physics : PCCP
|
September 18, 2015
Measurement and prediction of quantum coherence effects in biological processes
Aurélien de la Lande, Vicent Moliner, Dennis Salahub
Journal of Molecular Modeling
|
March 4, 2017
On the accuracy of population analyses based on fitted densities<sup></sup>
Aurélien de la Lande, Carine Clavaguéra, Andreas Köster
The Journal of Chemical Physics
|
January 26, 2007
Singlet-triplet gaps in large multireference systems: spin-flip-driven alternatives for bioinorganic modeling
Aurélien de la Lande, Vicent Moliner, Olivier Parisel
The Journal of Physical Chemistry. A
|
August 22, 2023
Irradiation of Plutonium Tributyl Phosphate Complexes by Ionizing Alpha Particles: A Computational Study
Damien Tolu, Dominique Guillaumont, Aurélien de la Lande
Journal of Computational Chemistry
|
June 29, 2022
Following the density evolution using real time density functional theory and density based indexes: Application to model push-pull molecules
Feven Alemu Korsaye, Aurélien de la Lande, Ilaria Ciofini
Page
of 7
Search research articles
Search
Showing results (1-10 of 63) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 19, 2015
Robust, basis-set independent method for the evaluation of charge-transfer energy in noncovalent complexes
Jan Řezáč, Aurélien de la Lande
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2023
On the Role of Charge Transfer in Many-Body Non-Covalent Interactions
Jan Řezáč, Aurélien de la Lande
Physical Chemistry Chemical Physics : PCCP
|
December 9, 2016
On the role of charge transfer in halogen bonding
Jan Řezáč, Aurélien de la Lande
The Journal of Chemical Physics
|
May 10, 2019
Multicomponent density functional theory with density fitting
Daniel Mejía-Rodríguez, Aurélien de la Lande
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2021
The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate
Aurélien de la Lande, Sergey Denisov, Mehran Mostafavi
Physical Chemistry Chemical Physics : PCCP
|
September 18, 2015
Measurement and prediction of quantum coherence effects in biological processes
Aurélien de la Lande, Vicent Moliner, Dennis Salahub
Journal of Molecular Modeling
|
March 4, 2017
On the accuracy of population analyses based on fitted densities<sup></sup>
Aurélien de la Lande, Carine Clavaguéra, Andreas Köster
The Journal of Chemical Physics
|
January 26, 2007
Singlet-triplet gaps in large multireference systems: spin-flip-driven alternatives for bioinorganic modeling
Aurélien de la Lande, Vicent Moliner, Olivier Parisel
The Journal of Physical Chemistry. A
|
August 22, 2023
Irradiation of Plutonium Tributyl Phosphate Complexes by Ionizing Alpha Particles: A Computational Study
Damien Tolu, Dominique Guillaumont, Aurélien de la Lande
Journal of Computational Chemistry
|
June 29, 2022
Following the density evolution using real time density functional theory and density based indexes: Application to model push-pull molecules
Feven Alemu Korsaye, Aurélien de la Lande, Ilaria Ciofini
Page
of 7