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Journal of Chemical Theory and Computation|November 18, 2015
Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal-Metal-Bonded Complexes?Rebecca K Carlson, Samuel O Odoh, Stephen J Tereniak, et al.Journal of Chemical Theory and Computation|November 18, 2015
Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation HyperpolarizabilitiesRobert Zaleśny, Angelika Baranowska-Łączkowska, Miroslav Medveď, et al.Journal of Chemical Theory and Computation|November 18, 2015
Aspects of Size-Consistency of Orbitally Noninvariant Size-Extensive Multireference Perturbation Theories: A Case Study Using UGA-SSMRPT2 as a PrototypeAvijit Sen, Sangita Sen, Debashis MukherjeeJournal of Chemical Theory and Computation|November 18, 2015
Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded InteractionsMatthew B Goldey, Bastien Belzunces, Martin Head-GordonJournal of Chemical Theory and Computation|November 18, 2015
Relation between Nonlinear Optical Properties of Push-Pull Molecules and Metric of Charge Transfer ExcitationsNanna Holmgaard List, Robert Zaleśny, N Arul Murugan, et al.Journal of Chemical Theory and Computation|November 18, 2015
Investigating Multireference Character and Correlation in Quantum ChemistryJ P Coe, M J PatersonJournal of Chemical Theory and Computation|November 18, 2015
Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based ApproachK V Jovan Jose, Daniel Beckett, Krishnan RaghavachariJournal of Chemical Theory and Computation|November 18, 2015
Excited State Absorption from Real-Time Time-Dependent Density Functional TheorySean A Fischer, Christopher J Cramer, Niranjan GovindJournal of Chemical Theory and Computation|November 18, 2015
Modeling Proton Dissociation and Transfer Using Dissipative Particle Dynamics SimulationMing-Tsung Lee, Aleksey Vishnyakov, Alexander V NeimarkJournal of Chemical Theory and Computation|November 18, 2015
Specific Ion Binding at Phospholipid Membrane SurfacesJing Yang, Carles Calero, Massimiliano Bonomi, et al.Pageof 1,139