𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A simple approximate sum rule for correlation-state structure in XPS

✍ Scribed by Robert G. Hayes

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
554 KB
Volume
22
Category
Article
ISSN
0368-2048

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Approximate sum rule for diatomic vibron
Approximate sum rule for diatomic vibronic states as a tool for the evaluation of molecular properties
✍ E.A. Pazyuk; A.V. Stolyarov; V.I. Pupyshev πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 465 KB

The approximate sum rule ( uI IfA V"gl ul > z I:,, < uI IA uZ > < y I g I u1 > (&, -Ey2 ) ", where f; g are operators which couple the vibrational levels I),, uz of two interacting electronic states and AU= U, -Us is the difference of the corresponding internuclear potentials, is numerically tested

A simple protocol to help calculate sadd
A simple protocol to help calculate saddle points. Transition-state structures for the Meyerβ€”Schuster reaction in non-aqueous media: An ab initio MO study
✍ O. Tapia; J. AndrΓ©s πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 569 KB

A simple procedure to help cdculste transition-state US) structures of complcs chemical systems is proposed and tested. For the wscs studied in this laboratory, substantial gains in computer CPU time have been obtained. As an esamplc, the TS structures for the intrumolecular mechanism corresponding