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:
Crystal-orbital calculations on the three-dimensional disodium deoxyguanosine-5′-monophosphate tetrahydrate, disodium uridine-3′-monophosphate tetrahydrate, monosodium monoprotonated deoxyadenosine-5′ monophosphate hexahydrate, and disodium deoxycytidine-5′ -monophosphate heptahydrate crystallohydrates were carried out in a Hartree-Fock all-valence-electron approximation using the CRYSTAL92 routine package. The first, the second, and the last compounds were found to be insulators, whereas the third one should be considered a two-dimensional semiconductor. The structural basis for these findings is discussed, with special reference to the semiconductivity and intermolecular interactions in solid-state samples of polymeric nucleic acids. © 1996 John Wiley & Sons, Inc.
Additional Material:
11 Ill.
Type of Medium:
Electronic Resource
