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The Journal of Chemical Physics|December 24, 2015
Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunctionAlexander A Granovsky
The Journal of Chemical Physics|June 14, 2011
Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theoryAlexander A Granovsky
The Journal of Physical Chemistry. A|August 30, 2008
Modeling photoabsorption of the asFP595 chromophoreKsenia B Bravaya, Anastasia V Bochenkova, Alexander A Granovsky, et al.
The Journal of Physical Chemistry Letters|September 24, 2019
Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine RhodopsinSamira Gholami, Laura Pedraza-González, Xuchun Yang, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 29, 2011
Photoisomerization around a fulvene double bond: coherent population transfer to the electronic ground state?Ilya Ioffe, Alexander L Dobryakov, Alexander A Granovsky, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore ModelSamer Gozem, Mark Huntress, Igor Schapiro, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster MethodsSamer Gozem, Federico Melaccio, Roland Lindh, et al.
Journal of the American Chemical Society|May 12, 2023
Cleavage of an Aromatic C-C Bond in Ferrocene by Insertion of an Iridium Nitrido Nitrogen AtomCarl Schiller, Daniel Sieh, Nils Lindenmaier, et al.
Angewandte Chemie (International Ed. in English)|June 12, 2013
C20H4(C4F8)3: a fluorine-containing annulated corannulene that is a better electron acceptor than C60Igor V Kuvychko, Cristina Dubceac, Shihu H M Deng, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical IntersectionSamer Gozem, Federico Melaccio, Alessio Valentini, et al.
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