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Journal of Computational Chemistry|November 22, 2011
Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel poresKyu Il Lee, Sunhwan Jo, Huan Rui, et al.Journal of Computational Chemistry|November 22, 2011
Theoretical investigation of the ethylene dimer: interaction energy and dipole momentYulia N Kalugina, Victor N Cherepanov, Mikhail A Buldakov, et al.Journal of Computational Chemistry|April 20, 2012
Comparison of the electronic structure of different perylene-based dye-aggregatesVolker Settels, Wenlan Liu, Jens Pflaum, et al.Journal of Computational Chemistry|April 20, 2012
GPU accelerated numerical simulations of viscoelastic phase separation modelKeda Yang, Jiaye Su, Hongxia GuoJournal of Computational Chemistry|April 20, 2012
The electronic spectra and the H-bonding pattern of the sulfur and selenium substituted guaninesJing Wang, Jiande Gu, Jerzy LeszczynskiJournal of Computational Chemistry|November 24, 2011
Convergence and error estimation in free energy calculations using the weighted histogram analysis methodFangqiang Zhu, Gerhard HummerJournal of Computational Chemistry|March 8, 2012
Temperature dependence of vibrational modes of CH3CC(ads) and I(ads) coadsorbed on Ag(111): ab initio molecular dynamics approachJyh Shing Lin, Shao-Yu Lu, Po-Jung Tseng, et al.Journal of Computational Chemistry|March 16, 2012
Cellulose-builder: a toolkit for building crystalline structures of celluloseThiago C F Gomes, Munir S SkafJournal of Computational Chemistry|March 16, 2012
Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemesUttam Sinha Mahapatra, Sudip ChattopadhyayJournal of Computational Chemistry|November 11, 2014
Expected degree for RNA secondary structure networksPeter ClotePageof 598