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On the derivation of symmetry adapted perturbation theories

✍ Scribed by A.T. Amos


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
354 KB
Volume
5
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Comments on the symmetry-adapted perturb
✍ Noboru Suzuki; Y.J. I'Haya πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 396 KB

Symmclry-adapted pcrlurbntion theories published so far are criticised. I<stra conditions imposed in most of these formalisms arc found to be not al.,~ays physically adcquatz. N'e conclude that the form&m proposed by Hirschfclder 2nd Silbey is ihc mosl appropriate.

Molecular application of the generalized
✍ Shigeyoshi Yamamoto; Kimihiko Hirao πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 428 KB

The generalized version of the symmetry adapted cluster theory (GSAC) which has been developed recently is nearly sizeconsistent and applicable to general classes of nonclosed-shell systems. The generality and the accuracy of the method have been tested for the symmetric dissociation of H,O. The ele

Inside Cover: Intermolecular Interaction
✍ Dr. Keyarash Sadeghian; Dr. Marco Bocola; Prof. Dr. Martin SchΓΌtz πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 635 KB

The interactions of two consecutive pyrimidines in DNA with their adjacent residues decrease under photoinduced reaction to the CPD lesion. DFT-SAPT predicts a loss in the interaction energy of 5.8 kcal mol Γ€1 , mostly due to weakening of Hbonding, as shown on p. 1251 by M. SchΓΌtz et al.