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Journal of Computational Chemistry|March 27, 2015
Theoretical comparative studies on transport properties of pentacene, pentathienoacene, and 6,13-dichloropentaceneXu Zhang, Xiaodi Yang, Hua Geng, et al.Journal of Computational Chemistry|March 11, 2015
On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fieldsHanne S Antila, Emppu SalonenJournal of Computational Chemistry|March 14, 2015
LS-VISM: A software package for analysis of biomolecular solvationShenggao Zhou, Li-Tien Cheng, Hui Sun, et al.Journal of Computational Chemistry|June 27, 2020
Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugsTeruo Hirakawa, David R Bowler, Tsuyoshi Miyazaki, et al.Journal of Computational Chemistry|June 28, 2020
Modified Lennard-Jones potentials for nanoscale atomsCelina Sikorska, Nicola GastonJournal of Computational Chemistry|June 30, 2020
Phase diagrams of the Ziff-Gulari-Barshad model on random networksEdda B Vilela, Henrique A Fernandes, Fábio L Paranhos Costa, et al.Journal of Computational Chemistry|April 15, 2015
Theoretical and experimental investigation of crown/ammonium complexes in solutionAndreas J Achazi, Larissa K S von Krbek, Christoph A Schalley, et al.Journal of Computational Chemistry|July 8, 2020
Structural and electronic properties of defective 2D transition metal dichalcogenide heterostructuresAdriana Pecoraro, Eduardo Schiavo, Pasqualino Maddalena, et al.Journal of Computational Chemistry|July 4, 2020
Quantum chemical topology at the spin-orbit configuration interaction level: Application to astatine compoundsCecilia Gomez Pech, Pi A B Haase, Dumitru-Claudiu Sergentu, et al.Journal of Computational Chemistry|July 19, 2012
DataPipeline: automated importing and fitting of large amounts of biophysical dataDamien Farrell, Jens Erik NielsenPageof 598