2011•Chemical Physics LettersRequires access

Counterpoise-corrected interaction energy analysis based on the fragment molecular orbital scheme

Yoshio Okiyama, Kaori Fukuzawa, Haruka Yamada, Yuji Mochizuki, Tatsuya Nakano, Shigenori Tanaka

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Key concepts: Counterpoise, Fragment molecular orbital, Interaction energy, Chemistry, Perturbation theory (quantum mechanics), Basis set, Molecular orbital, Water dimer

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