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Journal of the American Chemical Society|September 8, 2022
Solid-State End-On to Side-On Isomerization of (N═N)<sup>2-</sup> in {[(R<sub>2</sub>N)<sub>3</sub>Nd]<sub>2</sub>N<sub>2</sub>}<sup>2-</sup> (R = SiMe<sub>3</sub>) Connects In Situ Ln<sup>III</sup>(NR<sub>2</sub>)<sub>3</sub>/K and Isolated [Ln<sup>II</sup>(NR<sub>2</sub>)<sub>3</sub>]<sup>1-</sup> Dinitrogen ReductionAmanda B Chung, Dmitrij Rappoport, Joseph W Ziller, et al.The Journal of Chemical Physics|December 3, 2008
Developing the random phase approximation into a practical post-Kohn-Sham correlation modelFilipp FurcheChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2011
Basis-set quality and basis-set bias in molecular property calculationsDmitrij RappoportThe Journal of Physical Chemistry. A|March 9, 2019
Reaction Networks and the Metric Structure of Chemical Space(s)Dmitrij RappoportJournal of Computational Chemistry|January 28, 2025
Mechanism of the Non-Kasha Fluorescence in PyreneSourav Majumdar, Robin Grotjahn, Ahmadreza Rajabi, et al.The Journal of Chemical Physics|October 2, 2021
Property-optimized Gaussian basis sets for lanthanidesDmitrij RappoportThe Journal of Physical Chemistry. A|June 7, 2023
Statistics and Bias-Free Sampling of Reaction Mechanisms from Reaction Network ModelsDmitrij RappoportJournal of Chemical Theory and Computation|July 3, 2023
Gauge-Invariant Excited-State Linear and Quadratic Response Properties within the Meta-Generalized Gradient ApproximationRobin Grotjahn, Filipp FurcheThe Journal of Chemical Physics|February 2, 2010
First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performanceRobert Send, Filipp FurcheThe Journal of Physical Chemistry. A|June 10, 2010
Is there symmetry breaking in the first excited singlet state of 2-pyridone dimer?Espen Sagvolden, Filipp FurchePageof 16