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Theoretical studies of proton transfers

โœ Scribed by Scheiner, Steve


Book ID
120938110
Publisher
American Chemical Society
Year
1985
Tongue
English
Weight
895 KB
Volume
18
Category
Article
ISSN
0001-4842

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Theoretical study of proton transfers be
โœ Steve Scheiner; C.W. Kern ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 177 KB

Single and multiple proton transfers betweeu the bases guanine and cytosine and between adenine and thymine are studied usiug the LCAO SCF all-electron PRDDO method. Single proton transfers are found to lead to singkweli potentials while double transfers are characterized by double-well potentials.