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Journal of Computational Chemistry|November 6, 2013
KiSThelP: a program to predict thermodynamic properties and rate constants from quantum chemistry resultsSébastien Canneaux, Frédéric Bohr, Eric HenonJournal of Computational Chemistry|November 9, 2013
A new size extensive multireference perturbation theoryFeiwu Chen, Zhihui FanJournal of Computational Chemistry|December 7, 2013
ChemNetworks: a complex network analysis tool for chemical systemsAbdullah Ozkanlar, Aurora E ClarkJournal of Computational Chemistry|October 30, 2013
Adaptive lambda square dynamics simulation: an efficient conformational sampling method for biomoleculesJinzen Ikebe, Shun Sakuraba, Hidetoshi KonoJournal of Computational Chemistry|December 11, 2013
Decoding the components of dynamics in three-domain proteinsMateusz Maciejewski, Paul N Barlow, Nico TjandraJournal of Computational Chemistry|December 12, 2013
TiS2 and ZrS2 single- and double-wall nanotubes: first-principles studyAndrei V Bandura, Robert A EvarestovJournal of Computational Chemistry|October 1, 2013
Optimization of RI-MP2 auxiliary basis functions for 6-31G** and 6-311G** basis sets for first-, second-, and third-row elementsMasato Tanaka, Michio Katouda, Shigeru NagaseJournal of Computational Chemistry|October 15, 2013
Highly asymmetric electrolytes in the primitive model: hypernetted chain solution in arbitrary spatial dimensionsMarco Heinen, Elshad Allahyarov, Hartmut LöwenJournal of Computational Chemistry|October 15, 2013
A new set of bending Td symmetry coordinates for MX4 moleculesDavid SchmidlingJournal of Computational Chemistry|October 15, 2013
The RTAM electronic bibliography, version 17.0, on relativistic theory of atoms and moleculesPekka PyykköPageof 598