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Journal of Chemical Theory and Computation|November 20, 2015
Polarizable Interaction Model for Liquid, Supercritical, and Aqueous AmmoniaEsam A Orabi, Guillaume LamoureuxJournal of Chemical Theory and Computation|November 20, 2015
Free Energy Calculations with Reduced Potential Cutoff RadiiStuart J Davie, James C Reid, Debra J SearlesJournal of Chemical Theory and Computation|November 20, 2015
Noncovalent Interactions of DNA Bases with Naphthalene and GrapheneYeonchoo Cho, Seung Kyu Min, Jeonghun Yun, et al.Journal of Chemical Theory and Computation|November 20, 2015
Modeling the Self-Assembly of Nano Objects: Applications to Supramolecular Organic Monolayers Adsorbed on Metal SurfacesThomas J Roussel, Lourdes F VegaJournal of Chemical Theory and Computation|November 20, 2015
Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo CalculationsJiawei Xu, Michael J Deible, Kirk A Peterson, et al.Journal of Chemical Theory and Computation|November 20, 2015
Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic OrbitalsShubhrodeep Pathak, Radovan Bast, Kenneth RuudJournal of Chemical Theory and Computation|November 20, 2015
A Benchmark Ab Initio and DFT Study of the Structure and Binding of Methane in the σ-Alkane Complex CpRe(CO)2(CH4)Bun Chan, Graham E BallJournal of Chemical Theory and Computation|November 20, 2015
Fully Integrated Effective Fragment Molecular Orbital MethodSpencer R Pruitt, Casper Steinmann, Jan H Jensen, et al.Journal of Chemical Theory and Computation|November 20, 2015
Density Scaling of Noninteracting Kinetic Energy FunctionalsAlex Borgoo, David J TozerJournal of Chemical Theory and Computation|November 20, 2015
Multicenter Bonding in Ditetracyanoethylene Dianion: A Simple Aromatic Picture in Terms of Three-Electron BondsBenoit Braida, Kevin Hendrickx, Dominik Domin, et al.Pageof 1,126