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Three-dimensional crystal orbital calculations on mononucleotide crystallohydrates. II. Diprotonated mononucleotides (1995)

Starikov, E. B.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 56 (1995), S. 145-153

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Additional Material: 10 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560560715

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