𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory

✍ Scribed by Csonka, Gábor I.; Ruzsinszky, Adrienn; Perdew, John P.; Grimme, Stefan


Book ID
126861301
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
203 KB
Volume
4
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Studies of solvent effects using density
✍ M.F. Ruiz-López; F. Bohr; M.T.C. Martins-Costa; D. Rinaldi 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 751 KB

A self-consistent reaction field model is used to study solvent co-operative effects in ammonia-hydrogen bromide intermolecular interactions. Computations are carried out in the framework of density functional theory using gradient corrected exchangecorrelation potentials. The fundamental equations