✦ LIBER ✦

Methanethiol Dimer and Trimer. An ab Initio and DFT Study of the Interaction

✍ Scribed by Cabaleiro-Lago, Enrique M.; Rodríguez-Otero, Jesús

Book ID: 121453279
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 85 KB
Volume: 106
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp021001b

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of the interaction in

An ab initio study of the interaction in dimethylamine dimer and trimer

✍ Cabaleiro-Lago, Enrique M.; Rı́os, Miguel A. 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 265 KB

Ab initio study of HXeF dimer and trimer

✍ Cheng Cheng; Li Sheng 📂 Article 📅 2012 🏛 Elsevier 🌐 English ⚖ 690 KB

Phenylacetylene dimer: Ab initio and DFT

Phenylacetylene dimer: Ab initio and DFT study

✍ Patwari, G. Naresh; Venuvanalingam, P.; Kołaski, Maciej 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 482 KB

An ab initio study of intermolecular int

An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer

✍ Jinshan Li; Feng Zhao; Fuqian Jing 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 205 KB

## Abstract Different geometries of nitromethane dimer and nitromethane trimer have been fully optimized employing the density functional theory B3LYP method and the 6‐31++G\*\* basis set. Three‐body interaction energy has been obtained with the __ab initio__ supermolecular approach at the levels o

Ab Initio and DFT Study of the Structure

Ab Initio and DFT Study of the Structures, Vibrations and Energetics of the Urea Dimer and Trimer

✍ Rodion V. Belosludov; Zhi-Qiang Li; Yoshiyuki Kawazoe 📂 Article 📅 1998 🏛 Springer ⚖ 114 KB

An ab initio study with counterpoise cor

An ab initio study with counterpoise correction of ethylene dimer- and trimer-cations

✍ A.K. Chandra; K. Bhanuprakash 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 453 KB