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Journal of Computational Chemistry|November 22, 2017
A method for the machine detection of near equivalence of major substructures in a moleculeMalcolm Bersohn, Shizuo Fujiwara, Yuzuru FujiwaraJournal of Computational Chemistry|November 22, 2017
Comparison of sequences as a method for evaluation of the molecular similarityB Jerman-Blaẑiĉ, I Fabiĉ, M RandićJournal of Computational Chemistry|November 22, 2017
A fast algorithm for the interactive docking maneuver with flexible macromolecules and probesH R KarfunkelJournal of Computational Chemistry|November 22, 2017
Vectorization of a classical trajectory code on a floating point systems, Inc. Model 164 attached processorWayne A Kraus, Albert F WagnerJournal of Computational Chemistry|November 22, 2017
The effect of including polarization functions on the geometrical parameters calculated for pyridineCharles W Bock, Mendel Trachtman, Philip GeorgeJournal of Computational Chemistry|September 27, 2017
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?Changwei Wang, Yuzhuang Fu, Lina Zhang, et al.Journal of Computational Chemistry|April 1, 2018
Time-dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solutionKento Kasahara, Hirofumi SatoJournal of Computational Chemistry|April 1, 2018
Recognition of protein allosteric states and residues: Machine learning approachesHongyu Zhou, Zheng Dong, Peng TaoJournal of Computational Chemistry|October 20, 2017
Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials designArpita Varadwaj, Pradeep R Varadwaj, Koichi YamashitaJournal of Computational Chemistry|December 15, 2018
Chiral-selective etching effects on carbon nanotube growth at edge carbon atomsRyuto Kimura, Yuh Hijikata, Clothilde A Eveleens, et al.Pageof 598