✦ LIBER ✦

Study of proper and improper hydrogen bonding using Bader's atoms in molecules (AIM) theory and NBO analysis

✍ Scribed by Ponmalai Kolandaivel; V. Nirmala

Book ID: 103836539
Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 102 KB
Volume: 694
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2004.01.030

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study and atoms in molecule

Theoretical study and atoms in molecule analysis of hydrogen bonded clusters of ammonia and isocyanic acid

✍ Abedien Zabardasti; Saeid Amani; Mohammad Solimannejad; Maryam Salehnassaj 📂 Article 📅 2009 🏛 Springer 🌐 English ⚖ 324 KB

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