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Journal of Chemical Theory and Computation|December 3, 2015
Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical CalculationsHai Lin, Yan Zhao, Oksana Tishchenko, et al.Journal of Chemical Theory and Computation|December 3, 2015
Calculation of Standard Binding Free Energies: Aromatic Molecules in the T4 Lysozyme L99A MutantYuqing Deng, Benoît RouxJournal of Chemical Theory and Computation|December 3, 2015
Intrinsic Viscosity of Proteins and Platonic Solids by Boundary Element MethodsDavid K Hahn, Sergio R AragonJournal of Chemical Theory and Computation|December 3, 2015
Quality Assurance for Biomolecular SimulationsStuart E Murdock, Kaihsu Tai, Muan Hong Ng, et al.Journal of Chemical Theory and Computation|December 3, 2015
Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor AtomsJosé-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza, et al.Journal of Chemical Theory and Computation|December 3, 2015
2-Phenylpyridine: To Twist or Not To Twist?Kerwin D Dobbs, Karl SohlbergJournal of Chemical Theory and Computation|December 3, 2015
Nonlinearity of the Bifunctional of the Nonadditive Kinetic Energy: Numerical Consequences in Orbital-Free Embedding CalculationsMarcin Dułak, Tomasz A WesołowskiJournal of Chemical Theory and Computation|December 3, 2015
Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude OscillatorEdward Harder, Victor M Anisimov, Igor V Vorobyov, et al.Journal of Chemical Theory and Computation|December 3, 2015
Ewald Summation for Uniformly Charged SurfaceWen Yang, Xigao Jin, Qi LiaoJournal of Chemical Theory and Computation|December 3, 2015
Spin-Component Scaling Methods for Weak and Stacking InteractionsJ Grant Hill, James A PlattsPageof 1,126