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Can I read Theoretical studies of the K+ affinities of bases: a comparison of K+ and Li+ affinities on EtoBox?
Theoretical studies of the K+ affinities of bases: a comparison of K+ and Li+ affinities by Peter Kollman is a Physics and Astronomy article available to read on EtoBox.
What is Theoretical studies of the K+ affinities of bases: a comparison of K+ and Li+ affinities about?
We have carrkd out ab initio calculations on interactions of K'affinities of somc amines, alcohols, ethers, cyanides and amides to try to understand substituent effects on K\*affinities as weil as fhe differences beiween K\*and Waffinities. The caiculated methyl substituent effect on K+affïnities is in dïsagreement with experiment, in contrzt to the Li\*affïnities. The Ukely source of this disagreemcnt is either the ïnadequacy of a 'double zeta" basis to correctly represent the polarization energy or to the fact that these SCF calculations do nat include dispersion sttraction.
Who reads Theoretical studies of the K+ affinities of bases: a comparison of K+ and Li+ affinities?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Peter Kollman
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1978
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)