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Journal of Chemical Theory and Computation
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November 24, 2015
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches
Claudia Filippi, Francesco Buda, Leonardo Guidoni, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study
Riccardo Guareschi, Franca Maria Floris, Claudio Amovilli, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
State-Specific Embedding Potentials for Excitation-Energy Calculations
Csaba Daday, Carolin König, Omar Valsson, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls
Omar Valsson, Pablo Campomanes, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein
Csaba Daday, Carles Curutchet, Adalgisa Sinicropi, et al.
Journal of Chemical Theory and Computation
|
July 27, 2019
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Monika Dash, Jonas Feldt, Saverio Moroni, et al.
Journal of Chemical Theory and Computation
|
December 21, 2021
Energy Derivatives in Real-Space Diffusion Monte Carlo
Jesse van Rhijn, Claudia Filippi, Stefania De Palo, et al.
The Journal of Physical Chemistry Letters
|
November 2, 2016
Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin
Riccardo Guareschi, Omar Valsson, Carles Curutchet, et al.
The Journal of Chemical Physics
|
December 3, 2008
Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Full Configuration Interaction Excitations of Ethene and Butadiene: Resolution of an Ancient Question
Csaba Daday, Simon Smart, George H Booth, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
November 24, 2015
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches
Claudia Filippi, Francesco Buda, Leonardo Guidoni, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study
Riccardo Guareschi, Franca Maria Floris, Claudio Amovilli, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
State-Specific Embedding Potentials for Excitation-Energy Calculations
Csaba Daday, Carolin König, Omar Valsson, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls
Omar Valsson, Pablo Campomanes, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein
Csaba Daday, Carles Curutchet, Adalgisa Sinicropi, et al.
Journal of Chemical Theory and Computation
|
July 27, 2019
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Monika Dash, Jonas Feldt, Saverio Moroni, et al.
Journal of Chemical Theory and Computation
|
December 21, 2021
Energy Derivatives in Real-Space Diffusion Monte Carlo
Jesse van Rhijn, Claudia Filippi, Stefania De Palo, et al.
The Journal of Physical Chemistry Letters
|
November 2, 2016
Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin
Riccardo Guareschi, Omar Valsson, Carles Curutchet, et al.
The Journal of Chemical Physics
|
December 3, 2008
Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry
Enrico Tapavicza, Ivano Tavernelli, Ursula Rothlisberger, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Full Configuration Interaction Excitations of Ethene and Butadiene: Resolution of an Ancient Question
Csaba Daday, Simon Smart, George H Booth, et al.
Page
of 6