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Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms.
Wang Z, Ikeda K, Shen H, Loipersberger M, Zech A, Aldossary A, Head-Gordon T, Head-Gordon M. Wang Z, et al. Among authors: ikeda k. J Chem Theory Comput. 2025 Jan 21. doi: 10.1021/acs.jctc.4c01301. Online ahead of print. J Chem Theory Comput. 2025. PMID: 39835661
7,204 results