CHBC Faculty Publications

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Author: Ni, Zhigang

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TitlePublication NamePub. TypeYear
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large SystemsJournal of Chemical Theory and ComputationJournal Article2019
Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation MethodJournal of Chemical Theory and ComputationJournal Article2017
Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional TheoryJournal of Physical Chemistry AJournal Article2017