𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Outline of a transition-state hydrogen-bond theory

✍ Scribed by Paola Gilli; Valerio Bertolasi; Loretta Pretto; Gastone Gilli

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
477 KB
Volume
790
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

50 Years of Hydrogen Bond Theory
50 Years of Hydrogen Bond Theory
✍ Dr. Maurice L. Huggins πŸ“‚ Article πŸ“… 1971 πŸ› John Wiley and Sons 🌐 English βš– 511 KB

## Abstract The β€œhydrogen bond” or β€œhydrogen bridge” concept has proved to be one of the most useful structural concepts in modern science. The properties of substances containing hydrogen bonds depend on the strength, symmetry, and polarity of these bonds. These characteristics, in turn, are relat

Theory of bond failure in hydrogen-bonde
Theory of bond failure in hydrogen-bonded solids
✍ D.R. Axelrad πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science βš– 750 KB

A theory of bond failure for a class of hydrogen bonded solids is developed on the basis of probabilistic mechanics . The proposed models for bond dissociation show the applicability of the theory of Markov processes in which the most significant quantity in the representation of such processes is t

Semiclassical transition state theory. A
Semiclassical transition state theory. A new perspective
✍ Rigoberto Hernandez; William H. Miller πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 695 KB

The semiclassical transition state theory (SCTST) introduced by Miller, Hemandez, Handy, Jayatilaka and Willetts requires the inversion of an (effectively integrable) Hamiltonian with respect to the action of the reactive coordinate. It is shown that the inversion may be avoided in computing the the