UNIFIED VALENCE BOND THEORY OF ELECTRONIC STRUCTURE Lecture Notes in Chemistry. 29.

Epiotis, N.D. with J.R. Larson and H.L. Eaton

ISBN 10: 3540114912 / ISBN 13: 9783540114918

Edité par Springer-Verlag, Berlin, Heidelberg, New York, 1982

A propos de cet article

1st edition thus, 1982. A Very Good copy. 8vo., 305 pp., bound in publishers orange & blue stiff wraps. Minor signs of shelf wear, very faint pencil marks on front cover, otherwise unmarked. Publisher gift stamp on copyright page.

N° de réf. du vendeur 34298

Détails bibliographiques

• Titre: UNIFIED VALENCE BOND THEORY OF ELECTRONIC STRUCTURE Lecture Notes in Chemistry. 29.
• Éditeur: Springer-Verlag, Berlin, Heidelberg, New York
• Date de parution: 1982
• Langue: anglais
• ISBN à 10 chiffres: 3540114912
• ISBN à 13 chiffres: 9783540114918
• Reliure: Wraps
• Édition: 1st edition.
• État de l'article: Very Good
• Catalogues du vendeur:
  • Science

A propos de ce titre

Synopsis

In the last fifty years. computational chemistry has made impressive strides. Huckel NO computations were rapidly succeeded by semiempirical monodeterminantal Self Consistent Field (SCF) MO calculations which now give way to high quality ab initio calculations of the poly-determinantal SCF-MO and Generalized VB variety. By contrast. no analogous progress has been made in the area of the qualitative theo of chemical bonding. In fact. more than a half-centu after the exposition of HUckel MO theory the conceptual superstructure of chemist is still founded on it. This is made glaringly evident by the fact that highly sophisticated computations are still interpreted with primitive HUckel MO theory. despite the fact that most chemists are well aware of its formal deficiencies. The current popularity Qf qual1tati. ve MO theory among experimental i sts is not the resul t f fonnai -advances Wt, rather the consequence of stimulating application of old MO theoreti a. 1 oncepts.: . . "" This work attemps to improve this situation by outlining a t. iJlitative theory of chemical bonding which operates at a high level of theoretical sophistication. It was first presented at the NATO Advanced Study Institute on "Topics in Theoretical Organic Chemistry" in Gargnano. Italy. in June 1979. and in other international meetings and conferences. colloquia. and informal gatherings in the period of time follOWing the Gargnano meeting. It was also presented in a seminar given at the University of Washington in October 1980.