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Journal of Chemical Theory and Computation|December 13, 2017
Quadratic Response Properties from TDDFT: Trials and TribulationsShane M Parker, Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics|October 27, 2016
Unphysical divergences in response theoryShane M Parker, Saswata Roy, Filipp Furche
Physical Chemistry Chemical Physics : PCCP|October 25, 2011
Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulationsEnrico Tapavicza, Alexander M Meyer, Filipp Furche
The Journal of Chemical Physics|November 1, 2022
Static polarizabilities within the generalized Kohn-Sham semicanonical projected random phase approximation (GKS-spRPA)Sree Ganesh Balasubramani, Vamsee K Voora, Filipp Furche
The Journal of Physical Chemistry. A|May 30, 2009
Chiral cooperativity and solvent-induced tautomerism effects in electronic circular dichroism spectra of [2.2]paracyclophane ketiminesIngolf Warnke, Sefer Ay, Stefan Bräse, et al.
Journal of Chemical Theory and Computation|September 22, 2018
Performance and Scope of Perturbative Corrections to Random-Phase Approximation EnergiesGuo P Chen, Matthew M Agee, Filipp Furche
Chemical Communications (Cambridge, England)|October 30, 2010
Asymmetric total synthesis of (+)-fumimycin via 1,2-addition to ketiminesPatrick J Gross, Filipp Furche, Martin Nieger, et al.
Physical Chemistry Chemical Physics : PCCP|September 27, 2013
Ab initio non-adiabatic molecular dynamicsEnrico Tapavicza, Gregory D Bellchambers, Jordan C Vincent, et al.
The Journal of Chemical Physics|February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theoryQi Ou, Gregory D Bellchambers, Filipp Furche, et al.
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