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Journal of Computational Chemistry|June 15, 2012
Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase"Daniel Roca-Sanjuán, Marcus Lundberg, David A Mazziotti, et al.Journal of Computational Chemistry|April 5, 2013
Attractive electron-electron interactions within robust local fitting approximationsPatrick Merlot, Thomas Kjærgaard, Trygve Helgaker, et al.Journal of Computational Chemistry|June 4, 2014
Extension of accompanying coordinate expansion and recurrence relation method for general-contraction basis setsMasao Hayami, Junji Seino, Hiromi NakaiJournal of Computational Chemistry|July 24, 2015
Linear, planar, and tubular molecular structures constructed by double planar tetracoordinate carbon D2hC2(BeH)4 species via hydrogen-bridged -BeH2Be- bondsXue-Feng Zhao, Haixia Li, Cai-Xia Yuan, et al.Journal of Computational Chemistry|June 23, 2015
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical proceduresAmir Karton, Peter R Schreiner, Jan M L MartinJournal of Computational Chemistry|August 8, 2015
The Total Position Spread in mixed-valence compounds: A study on the H4+ model systemGian Luigi Bendazzoli, Muammar El Khatib, Stefano Evangelisti, et al.Journal of Computational Chemistry|February 3, 2016
SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherenceSalvador Cardona-Serra, Luis Escalera-Moreno, José J Baldoví, et al.Journal of Computational Chemistry|October 28, 2015
Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimersMarzena Jankowska, Teobald Kupka, Leszek Stobiński, et al.Journal of Computational Chemistry|August 19, 2015
d-AO spherical aromaticity in Ce6O8Xiaohu Yu, Artem R Oganov, Ivan A Popov, et al.Journal of Computational Chemistry|August 19, 2015
Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspectiveAl Mokhtar Lamsabhi, Soledad Gutiérrez-Oliva, Otilia Mó, et al.Pageof 598