𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Internal Conversion and the Crossing of Molecular Potential Energy Surfaces

✍ Scribed by Coulson, C. A.; Zalewski, K.

Book ID
120143968
Publisher
The Royal Society
Year
1962
Tongue
English
Weight
774 KB
Volume
268
Category
Article
ISSN
0962-8444

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

On the non-crossing rule for potential e
On the non-crossing rule for potential energy surfaces of polyatomic molecules
✍ K. Razi Naqvi πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 178 KB

It is shown that the non-crossing rule for the intersection of potential energy curves of diatomic molecules applies also to potential energy surfaces of polyatomic molecules.

Principal coordinate maps of molecular p
Principal coordinate maps of molecular potential energy surfaces
✍ Becker, Oren M. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 381 KB πŸ‘ 1 views

Obtaining useful representations of molecular conformation spaces and visualizing the associated potential energy surfaces is a complex task, mainly due to the high dimensionality of these spaces. Principal component Ε½ . analysis PCA , which projects multidimensional data on low-dimensional subspace

On the determination of the minimum on t
On the determination of the minimum on the crossing seam of two potential energy surfaces
✍ Abbas Farazdel; Michel Dupuis πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 703 KB

An improved gradient-based algorithm is presented for the determination of the minimum energy point on the crossing seam hypersurface between two arbitrary potential energy hypersurfaces. The Hessian matrix is updated employing the gradient information. The method is demonstrated in a study of some

Determination of the lowest energy point
Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient
✍ Nobuaki Koga; Keiji Morokuma πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 281 KB

A method is presenkd 10 sarch for the energy minrmum crossing poim bewren IHCI po~mudl surracrs \\lxh the ad or Ihe energy gmdiem and rhe optimization method with n conslraint The melhod hns been apphed LO LU'O lou-lying wiplel excited shades or chlorobenzene with the nb iniuo UHF warcfunclion.