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Journal of Computational Chemistry|August 14, 2014
Molecular sensing using armchair graphene nanoribbonMohammad Reza Rezapour, Arunkumar Chitteth Rajan, Kwang S KimJournal of Computational Chemistry|November 18, 2014
Dipole moment derivatives and integrated intensities for the vibrational transitions of N2 … HFS A McDowellJournal of Computational Chemistry|November 20, 2014
Could the "Janus-like" properties of the halobenzene CX bond (X=Cl, Br) be leveraged to enhance molecular recognition?Krystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, et al.Journal of Computational Chemistry|November 4, 2014
Predicting peptide binding sites on protein surfaces by clustering chemical interactionsChengfei Yan, Xiaoqin ZouJournal of Computational Chemistry|November 4, 2014
Protein folding pathways extracted by OFLOOD: Outlier FLOODing methodRyuhei Harada, Tomotake Nakamura, Yu Takano, et al.Journal of Computational Chemistry|June 25, 2016
Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubilityKyrylo Klimenko, Victor Kuz'min, Liudmila Ognichenko, et al.Journal of Computational Chemistry|June 29, 2016
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimizationDennis M ElkingJournal of Computational Chemistry|July 1, 2016
Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methodsSzymon Śmiga, Fabio Della Sala, Adam Buksztel, et al.Journal of Computational Chemistry|June 19, 2016
Quantum chemical study of the autoxidation of ascorbateNils Herrmann, Norah Heinz, Michael Dolg, et al.Journal of Computational Chemistry|June 19, 2016
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GISTSteven Ramsey, Crystal Nguyen, Romelia Salomon-Ferrer, et al.Pageof 598