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Three‐dimensional crystal orbital calculations on mononucleotide crystallohydrates. II. Diprotonated mononucleotides
Author(s) -
Starikov E. B.
Publication year - 1995
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.560560715
Subject(s) - intermolecular force , chemistry , computational chemistry , nucleic acid , ab initio , crystal (programming language) , molecular orbital , solid state , chemical physics , crystallography , molecule , organic chemistry , biochemistry , computer science , programming language
Ab Initio crystal orbital calculations on three‐dimensional crystals/crystallohydrates of a number of diprotonated mononucleotides have been performed using the CRYSTAL92 routine package. The present results help to gain a deeper insight into the physical mechanisms of nucleic acid semiconductivity, as well as into the essence of intermolecular interactions and solvent effects in solid‐state samples of nucleic acids. © 1995 John Wiley & Sons, Inc.
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