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Studies on proton transfers in water clusters and DNA base pairs
Author(s) -
Kong Young Shik,
Jhon Mu Shik,
Löwdin PerOlov
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320820
Subject(s) - guanine , base pair , thymine , cytosine , nucleobase , chemistry , base (topology) , proton , ab initio , dna , basis set , computational chemistry , crystallography , chemical physics , physics , nucleotide , density functional theory , biochemistry , mathematics , mathematical analysis , organic chemistry , quantum mechanics , gene
Studies on the proton transfers in water clusters (H 2 O) n ( n = 2, 3, 4, 5, 6), and in DNA base pairs, adenine‐thymine base pair, and guanine‐cytosine base pair, have been done by using the potential functions of polarization model for water and ab initio SCF method with STO‐3 G basis set for base pairs, respectively.