𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Use of bond orders and valences for the description and prediction of primary fragmentation processes

✍ Scribed by Árpád Somogyi; Ágnes Gömöry; Károly Vékey; József Tamás

Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
320 KB
Volume
26
Category
Article
ISSN
1076-5174

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Some approaches and examples are shown to demonstrate the usefulness of inherently ‘classical’ parameters, such as bond orders and valences derivable from quantum mechanical wavefunctions, in the description and prediction of mass spectral primary fragmentation processes.

📜 SIMILAR VOLUMES

Compact and accurate valence bond functi
Compact and accurate valence bond functions with different orbitals for different configurations: application to the two-configuration description of F2
✍ P.C. Hiberty; J.P. Flament; E. Noizet 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 653 KB

A way of computing reliable and very compact ab initio classical valence bond wavefunctions is presented. The method deals with a minimal number of configuration-state functions (CSFs), with only one per Lewis structure necessary to describe the active part of a chemical system since each CSF is all

Use of the abiotic proton balance for de
Use of the abiotic proton balance for determining linear relations among net conversion rates of primary metabolites in fermentation processes
✍ Steven A. Siano 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 495 KB 👁 2 views

Linear relations among net conversion rates of primary metabolites in fermentation processes can be determined by using the macroscopic or pathway balancing methods. It is shown that the process observability can be improved by incorporating both the abiotic proton balance and the pH control reagent