Theoretical Study on the Weakly-Bound Complexes in the Reactions of Hydroxyl Radical with Saturated Hydrocarbons (Methane, Ethane, and Propane)

2002 ◽  
Vol 106 (11) ◽  
pp. 2652-2658 ◽  
Author(s):  
Tomohiro Hashimoto ◽  
Suehiro Iwata
Keyword(s):  
Hydroxyl Radical ◽  
Theoretical Study ◽  
Saturated Hydrocarbons ◽  
Weakly Bound ◽  
Weakly Bound Complexes

scholarly journals Modelling excited states of weakly bound complexes with density functional theory

2014 ◽  
Vol 16 (28) ◽  
pp. 14455-14462 ◽  
Author(s):  
Edward A. Briggs ◽  
Nicholas A. Besley
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Rydberg State ◽  
Dispersion Correction ◽  
Weakly Bound ◽  
Functional Theory ◽  
Weakly Bound Complexes

Different dispersion correction parameters are required to describe the interaction when the molecule is in an excited Rydberg state.

Hydroxyl Radical Promotes the Direct Iodination of Aromatic Compounds with Iodine in Water: A Combined Experimental and Theoretical Study

2012 ◽  
Vol 354 (4) ◽  
pp. 720-729 ◽  
Author(s):  
Peng Zhang ◽  
Dongqing Sun ◽  
Mingwei Wen ◽  
Jingkui Yang ◽  
Kebin Zhou ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Aromatic Compounds ◽  
Theoretical Study

Unimolecular processes in weakly bound complexes: correlated product state distributions

1995 ◽  
Vol 102 ◽  
pp. 323 ◽  
Author(s):  
L. Oudejans ◽  
R. E. Miller ◽  
W. L. Hase
Keyword(s):  
Product State ◽  
Weakly Bound ◽  
Weakly Bound Complexes

The structure and harmonic vibrational frequencies of the weakly bound complexes formed by HF with CO, CO2 and N2O

1988 ◽  
Vol 74 (5) ◽  
pp. 415-428 ◽  
Author(s):  
Ian L. Alberts ◽  
Nicholas C. Handy ◽  
Emmanuel D. Simandiras
Keyword(s):  
Vibrational Frequencies ◽  
Weakly Bound ◽  
Weakly Bound Complexes
Sign in / Sign up

Export Citation Format

Share Document