Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package量子化学前沿软件: q-chem 5软件包的发展概述JOURNAL OF CHEMICAL PHYSICSIF3.12021-08-23743OAAI
Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks (vol 141, 024102, 2014)JOURNAL OF CHEMICAL PHYSICSIF3.12015-10-097OAAI
A simple way to test for collinearity in spin symmetry broken wave functions: General theory and application to generalized Hartree FockJOURNAL OF CHEMICAL PHYSICSIF3.12015-03-0421OAAI
Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theoryJOURNAL OF CHEMICAL PHYSICSIF3.12015-01-0934OAAI
Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarksJOURNAL OF CHEMICAL PHYSICSIF3.12014-07-08133OAAI
Non-orthogonal configuration interaction for the calculation of multielectron excited statesJOURNAL OF CHEMICAL PHYSICSIF3.12014-03-1774OAAI
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicalsJOURNAL OF CHEMICAL PHYSICSIF3.12013-04-05108PREAI
Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimerJOURNAL OF CHEMICAL PHYSICSIF3.12013-02-2249PREAI
Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo ElectrocatalystJOURNAL OF THE AMERICAN CHEMICAL SOCIETYIF15.62012-03-0880PREAI
Observation of water dangling OH bonds around dissolved nonpolar groupsPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICAIF9.12009-07-28179OAAI
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