✦ LIBER ✦

Chlorofluoroamines: Ab Initio and DFT Studies on Their Structure, Enthalpies of Formation, and Unimolecular Reaction Pathways

✍ Scribed by Shamasundar, K. R.; Arunan, E.

Book ID: 126254953
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 86 KB
Volume: 105
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp011331g

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio and DFT studies on structure a

Ab initio and DFT studies on structure and stability of aliphatic aldoxime molecules

✍ P Kolandaivel; K Senthilkumar 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 156 KB

Ab Initio Studies of Halogenated Methyl

Ab Initio Studies of Halogenated Methyl and Methylene Radicals: Molecular Structure, Vibrational Frequencies, and Enthalpies of Formation

✍ Cheong, Byeong-Seo; Cho, Han-Gook 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 137 KB

Ab Initio MP2 and DFT Study of the Therm

Ab Initio MP2 and DFT Study of the Thermal Syn Elimination Reaction in Ethyl Formate

✍ Hermida-Ramón, Jose M.; Rodríguez-Otero, Jesús; Cabaleiro-Lago, Enrique M. 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 64 KB

Molecular Structures and Thermodynamic S

Molecular Structures and Thermodynamic Stabilities of Cycloalkadienes and Their Methoxy Derivatives: An Ab Initio and DFT Study

✍ Esko Taskinen 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 107 KB

DFT and ab initio study on the reaction

DFT and ab initio study on the reaction mechanism of CH2SH + O2

✍ Yi-Zhen Tang; Ya-Ru Pan; Jing-Yu Sun; Hao Sun; Rong-Shun Wang 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 277 KB

Ab initio study on the structures of flu

Ab initio study on the structures of fluorinated formates and hydrogen abstraction reaction with OH radical

✍ Asit K. Chandra; Tadafumi Uchimaru; Masaaki Sugie; Akira Sekiya 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 498 KB 👁 2 views

## Abstract The conformational potential energy surfaces for mono‐ and difluoromethyl formate have been determined by using a modified G2(MP2) level of calculations. The structures and vibrational frequencies for the conformers of mono‐ and difluoromethyl formate have been reported. The hydrogen ab