Showing results (2231-2240 of 5,939) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|March 6, 2018
Azobenzene-bridged diradical janus nucleobases with photo-converted magnetic properties between antiferromagnetic and ferromagnetic couplingsPeiwen Zhao, Yuxiang BuJournal of Computational Chemistry|March 6, 2018
Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC2Jacek KoputJournal of Computational Chemistry|January 10, 2018
Spin density accuracy and distribution in azido Cu(II) complexes: A source function analysisGiovanni Macetti, Leonardo Lo Presti, Carlo GattiJournal of Computational Chemistry|February 4, 2018
Spin-orbit effects on magnetically induced current densities in the M5- (M = N,P,As,Sb,Bi,Mc) clustersLuis Alvarez-Thon, Natalia Inostroza-PinoJournal of Computational Chemistry|November 11, 2017
An interacting quantum atom study of model SN 2 reactions (X- ···CH3 X, X = F, Cl, Br, and I)Ibon Alkorta, Joseph C R Thacker, Paul L A PopelierJournal of Computational Chemistry|November 15, 2017
Quantum crystallography: A perspectiveLou Massa, Chérif F MattaJournal of Computational Chemistry|November 15, 2017
Implementation and performance of the artificial force induced reaction method in the GRRM17 programSatoshi Maeda, Yu Harabuchi, Makito Takagi, et al.Journal of Computational Chemistry|January 23, 2018
Partially linearized external models to active-space coupled-cluster through connected hextuple excitationsEnhua Xu, Seiichiro L Ten-NoJournal of Computational Chemistry|January 12, 2018
A fully analytical integration of properties over the 3D volume of the β sphere in topological atomsPaul L A PopelierJournal of Computational Chemistry|March 25, 2018
Simulations of optically switchable molecular machines for particle transportTim Raeker, Björn Jansen, Dominik Behrens, et al.Pageof 594