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Nucleic acids as objects of material science: Importance of quantum chemical and quantum mechanical studies
Author(s) -
Starikov E. B.
Publication year - 2000
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/(sici)1097-461x(2000)77:5<859::aid-qua7>3.0.co;2-l
Subject(s) - nucleic acid , chemistry , counterion , quantum , quantum chemistry , computational chemistry , nanotechnology , quantum mechanics , physics , ion , organic chemistry , molecule , materials science , biochemistry , supramolecular chemistry
A minireview on nucleic acid quantum chemistry is presented, with the special reference to solid‐state samples of nucleic acids, their constituents, and model compounds. The proper use of quantum chemical methods facilitates formulating physically correct theories of nucleic acid molecular dynamics. The results of thorough quantum chemical calculations help reveal and explain the interconnections between various degrees of freedom of nucleic acid polyanions themselves, their counterion, and water environment. With this in mind, writing down nucleic acid equations of motion becomes a bit less formidable task. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 859–870, 2000