𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels

✍ Scribed by Heidar Raissi; Mehdi Yoosefian; Samaneh Khoshkhou

Book ID
116380066
Publisher
Elsevier
Year
2012
Tongue
English
Weight
484 KB
Volume
983
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Comparative study of BSSE correction met
Comparative study of BSSE correction methods at DFT and MP2 levels of theory
✍ Paizs, BοΏ½la; Suhai, SοΏ½ndor πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 266 KB

A comparative study of intermolecular potential energy curves is performed on the complexes H O-HF, H O-H O, H O-H S, and 2 2 2 2 2 Ε½ H S-H S using nine different basis sets at the MP2 and DFT BLYP and 2 2 . B3LYP levels of theory. The basis set superposition error is corrected by means of the coun