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Journal of Chemical Information and Modeling
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January 31, 2026
Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments
Chris John, Edoardo Cignoni, Lorenzo Cupellini, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2019
Auramine O interaction with DNA: a combined spectroscopic and TD-DFT analysis
Sabriye Aydinoglu, Andrea Pasti, Tarita Biver, et al.
The Journal of Physical Chemistry. B
|
January 24, 2017
Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545
Mortaza Aghtar, Ulrich Kleinekathöfer, Carles Curutchet, et al.
Biochimica Et Biophysica Acta. Bioenergetics
|
August 7, 2019
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation
Lorenzo Cupellini, Mattia Bondanza, Michele Nottoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2015
Limits and potentials of quantum chemical methods in modelling photosynthetic antennae
Sandro Jurinovich, Lucas Viani, Carles Curutchet, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Physical Chemistry. B
|
December 8, 2006
Electron transfer in a radical ion pair: quantum calculations of the solvent reorganization energy
Marco Caricato, Francesca Ingrosso, Benedetta Mennucci, et al.
The Journal of Organic Chemistry
|
August 9, 2007
Absolute configuration of natural cyclohexene oxides by time dependent density functional theory calculation of the optical rotation: the absolute configuration of (-)-sphaeropsidone and (-)-episphaeropsidone revised
Benedetta Mennucci, Michele Claps, Antonio Evidente, et al.
The Journal of Organic Chemistry
|
November 6, 2004
Density functional study of the optical rotation of glucose in aqueous solution
Clarissa O da Silva, Benedetta Mennucci, Thom Vreven
Page
of 24
Search research articles
Search
Showing results (61-70 of 234) with videos related to
Sort By:
Page
of 24
Journal of Chemical Information and Modeling
|
January 31, 2026
Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments
Chris John, Edoardo Cignoni, Lorenzo Cupellini, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2019
Auramine O interaction with DNA: a combined spectroscopic and TD-DFT analysis
Sabriye Aydinoglu, Andrea Pasti, Tarita Biver, et al.
The Journal of Physical Chemistry. B
|
January 24, 2017
Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545
Mortaza Aghtar, Ulrich Kleinekathöfer, Carles Curutchet, et al.
Biochimica Et Biophysica Acta. Bioenergetics
|
August 7, 2019
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation
Lorenzo Cupellini, Mattia Bondanza, Michele Nottoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2015
Limits and potentials of quantum chemical methods in modelling photosynthetic antennae
Sandro Jurinovich, Lucas Viani, Carles Curutchet, et al.
Journal of Computational Chemistry
|
December 24, 2024
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
Tommaso Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
The Journal of Physical Chemistry. B
|
December 8, 2006
Electron transfer in a radical ion pair: quantum calculations of the solvent reorganization energy
Marco Caricato, Francesca Ingrosso, Benedetta Mennucci, et al.
The Journal of Organic Chemistry
|
August 9, 2007
Absolute configuration of natural cyclohexene oxides by time dependent density functional theory calculation of the optical rotation: the absolute configuration of (-)-sphaeropsidone and (-)-episphaeropsidone revised
Benedetta Mennucci, Michele Claps, Antonio Evidente, et al.
The Journal of Organic Chemistry
|
November 6, 2004
Density functional study of the optical rotation of glucose in aqueous solution
Clarissa O da Silva, Benedetta Mennucci, Thom Vreven
Page
of 24