𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Nonlocal density functional theories of the liquid–gas interface

✍ Scribed by Robert, M.


Book ID
121513642
Publisher
American Institute of Physics
Year
1982
Tongue
English
Weight
347 KB
Volume
77
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Nonlocal density functional calculation
✍ Dariush Habibollahzadeh; M. Edward Grice; Monica C. Concha; Jane S. Murray; Pete 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 304 KB

A general procedure is presented for computing the gas phase heats of formation of a wide variety of organic compounds. A E for the formation of the molecule from its elements at 0 K is obtained from density functional calculations (Gaussian 92/DFT) for optimized geometries. This result is converted