✦ LIBER ✦

Studies in hydrogen bonding: Association within mixed dimers of water, methanol, ammonia, and methylamine using the empirical potential EPEN

✍ Scribed by George Brink; Leslie Glasser

Publisher: John Wiley and Sons
Year: 1982
Tongue: English
Weight: 459 KB
Volume: 3
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540030109

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

An empirical potential EPEN has been used to find the stable geometries and approximate hydrogenbond energies of the mixed dimers formed between molecules of water, methanol, ammonia, and methylamine. These results are compared with results in the literature obtained using ab initio methods.

📜 SIMILAR VOLUMES

Studies in hydrogen bonding: Association

Studies in hydrogen bonding: Association within small clusters of water, methanol, and ammonia molecules using Jorgensen's intermolecular pair potentials

✍ George Brink; Leslie Glasser 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 621 KB

## Abstract The geometries of the dimer, trimer, and tetramer hydrogen‐bonded clusters of water, methanol, and ammonia molecules have been derived using previously published intermolecular pair potentials containing constants optimized from __ab initio__ calculations. The lowest energy forms for th