The structures and proton transfer barriers in proton-bound homodimers of aromatic molecular bases: Implication of zero-point energies for the proton-transfer reaction

Han, Sang Yun; Lee, Sang Hak; Oh, Han Bin

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The structures and proton transfer barriers in proton-bound homodimers of aromatic molecular bases: Implication of zero-point energies for the proton-transfer reaction

Han, Sang Yun;
Lee, Sang Hak;
Oh, Han Bin

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키워드

density functional calculations; proton-bound dimer; pyrazine (C4H4N2); quinone (C6H4O2); zero-point energy; DENSITY-FUNCTIONAL THEORY; CRYSTAL-STRUCTURE; TRIPLE HELICES; DNA TRIPLEXES; GAS-PHASE; AB-INITIO; PAIRS; STACKING; DYNAMICS; ARGININE

제목: The structures and proton transfer barriers in proton-bound homodimers of aromatic molecular bases: Implication of zero-point energies for the proton-transfer reaction

저자: Han, Sang Yun; Lee, Sang Hak; Oh, Han Bin

발행일: 2006-11-20

유형: Article

저널명: Bulletin of the Korean Chemical Society

권: 27

호: 11

페이지: 1903 ~ 1906