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- [32] Basis set superposition error in MP2 and density-functional theory: A case of methane-nitric oxide association JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (13):
- [33] The effects of basis set and blocking groups on the conformational energies of glycyl and alanyl dipeptides - A Hartree-Fock and MP2 study JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 392 : 101 - 109
- [34] The Amino Group in Adenine: MP2 and CCSD(T) Complete Basis Set Limit Calculations of the Planarization Barrier and DFT/B3LYP Study of the Anharmonic Frequencies of Adenine JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (51): : 16734 - 16740
- [37] Basis Set Superposition Error Effects Cause the Apparent Nonexistence of the Ethene/Benzenium Ion Complex on the MP2 Potential Energy Surface JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (44): : 11017 - 11020
- [38] What are the most efficient basis set strategies for correlated wave function calculations of reaction energies and barrier heights? JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (06):
- [39] Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis JOURNAL OF CHEMICAL PHYSICS, 2017, 146 (10):
- [40] Toward the complete basis set limit: Massively parallel implementation of MP2-R12 methods. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U470 - U470