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Journal of Computational Chemistry|August 30, 2017
X-Ray Crystal Structure of Embelin and Its DFT Scavenging of Superoxide RadicalFrancesco Caruso, Sarah Paumier, Miriam RossiJournal of Computational Chemistry|September 1, 2017
Effect of solvation on the ionization of guanine nucleotide: A hybrid QM/EFP studyRahul Chakraborty, Samik Bose, Debashree GhoshJournal of Computational Chemistry|July 28, 2017
Contracted Schrödinger equation in quantum phase-spaceCarol Frishberg, Leon CohenJournal of Computational Chemistry|July 28, 2017
CHARMM force field and molecular dynamics simulations of protonated polyethylenimineTitus Adrian Beu, Alexandra FarcaşJournal of Computational Chemistry|August 2, 2017
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixturesYuichi Tanaka, Yukio Kawashima, Norio Yoshida, et al.Journal of Computational Chemistry|August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter indexMarco Campetella, Federica Maschietto, Mike J Frisch, et al.Journal of Computational Chemistry|August 3, 2017
An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodologyGunter Hermann, Vincent Pohl, Jean Christophe TremblayJournal of Computational Chemistry|August 3, 2017
Generalization of the Schrödinger Theory of ElectronsViraht SahniJournal of Computational Chemistry|August 5, 2017
CHARMM-GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharidesPin-Chia Hsu, Bart M H Bruininks, Damien Jefferies, et al.Journal of Computational Chemistry|July 19, 2017
ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by WaterSilvia Díaz, Mateusz Z Brela, Soledad Gutiérrez-Oliva, et al.Pageof 598