𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study of the internal rotation and inversion in hydroxymethyl radical (CH2OH)

✍ Scribed by H.A. Tae-Kyu

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
492 KB
Volume
30
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The origin of barriers to internal rotat
The origin of barriers to internal rotation. An energy decomposition study for CH3CH3, CH3NH2 and CH3OH
✍ Keiji Morokuma; Hideaki Umeyama 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 517 KB

The energy decomposition analysis of Morokuma and Kitaura-Morokuma is used to clucidatc the origin of the rotational barrier. The barrier of ethane, defined as the difference between the methyl radical-methyl radical interaction energy in a staggered and an eclipsed conformation, is found to be domi

Theoretical study of the reactions CF3CH
Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its product radicals and parent ether(CH3CH2OCH3) with OH
✍ Lei Yang; Jing-Yao Liu; Li Wang; Hong-Qing He; Ying Wang; Ze-Sheng Li 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 603 KB

## Abstract A dual‐level direct dynamic method is employed to study the reaction mechanisms of CF~3~CH~2~OCHF~2~ (HFE‐245fa2; HFE‐245mf) with the OH radicals and Cl atoms. Two hydrogen abstraction channels and two displacement processes are found for each reaction. For further study, the reaction m

A theoretical study of topomerization of
A theoretical study of topomerization of imine systems: Inversion, rotation or mixed mechanisms?
✍ Jesús Gálvez; Antonio Guirado 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB

## Abstract The different mechanisms, rotation, inversion, or intermediate mechanism, by which occur the topomerization of imine systems R~2~ CNX have been studied by applying __ab initio__, B3LYP, and MP2 methods. The effect of a wide variety of substituents __R__ and __X__ on the isomerization

Vibration–Internal Rotation–Overall Rota
Vibration–Internal Rotation–Overall Rotation Interactions in CH2DOH and CHD2OH: I. Development and Application of the Separation Transformations to the Zeroth-Order Kinetic Energy
✍ C.Richard Quade 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 329 KB

The zeroth-order kinetic energy is developed for the vibrating-rotating-internally rotating CH(2)DOH and CHD(2)OH molecules using the general theory of Guan and Quade for the vibration-rotation-large amplitude internal motion interactions in molecules. A T transformation is applied to obtain the nec