𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Thermochemistry of 1-Methylnaphthalene Hydroconversion: Comparison of Group Contribution and ab Initio Models

✍ Scribed by Contreras, Maria S.; de Bruin, Theodorus; Mougin, Pascal; Toulhoat, Hervé

Book ID
121453231
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
865 KB
Volume
27
Category
Article
ISSN
0887-0624

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculation of molar volumes:
Ab initio calculation of molar volumes: Comparison with experiment and use in solvation models
✍ Ming Wah Wong; Kenneth B. Wiberg; Michael J. Frisch 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 787 KB

## Abstract A simple and efficient procedure of calculating molecular volume (__V__~__M__~) based on the Monte Carlo method is presented. The volume of a molecule is defined by the volume occupied by the 0.001‐au electron density envelope. We have employed this method to compute the molecular volum