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Journal of Computational Chemistry|January 24, 2020
Amorphous polymerization of nitrogen in compressed cupric azideYujia Xu, Weijing Zhang, Tonglai Zhang, et al.Journal of Computational Chemistry|November 13, 2019
Performance of Range Separated Density Functional in Solvent Continuum: Tuning Long-range Hartree-Fock Exchange for Improved Orbital EnergiesAbhijit Boruah, Manash Protim Borpuzari, Rahul KarJournal of Computational Chemistry|November 13, 2019
Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN 2 Reaction of and CH3 ClNandini Savoo, Jalal Z A Laloo, Lydia Rhyman, et al.Journal of Computational Chemistry|March 29, 2020
Spin-flip approach within time-dependent density functional tight-binding method: Theory and applicationsMayu Inamori, Takeshi Yoshikawa, Yasuhiro Ikabata, et al.Journal of Computational Chemistry|December 28, 2017
pyEFP: Automatic decomposition of the complex molecular systems into rigid polarizable fragmentsAlexey V Odinokov, Nikita O Dubinets, Alexander A BagaturyantsJournal of Computational Chemistry|October 8, 2005
GROMACS: fast, flexible, and freeDavid Van Der Spoel, Erik Lindahl, Berk Hess, et al.Journal of Computational Chemistry|April 28, 2006
An agent-based system to discover protein-protein interactions, identify protein complexes and proteins with multiple peptide mass fingerprintsTzong-Yi Lee, Jorng-Tzong Horng, Hsueh-Fen Juan, et al.Journal of Computational Chemistry|March 18, 2006
Reaction mechanism of the CCN radical with nitric oxideLin Jin, Yi-Hong Ding, Jian Wang, et al.Journal of Computational Chemistry|March 22, 2006
Theoretical study on the mechanism of the CH2F + NO2 reactionJia-Xu Zhang, Ze-Sheng Li, Jing-Yao Liu, et al.Journal of Computational Chemistry|October 9, 2004
A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptorRie Tatsumi, Yoshifumi Fukunishi, Haruki NakamuraPageof 598