scholarly journals Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation

2012 ◽  
Vol 14 (30) ◽  
pp. 10705 ◽  
Author(s):  
Piin-Ruey Pan ◽  
You-Sheng Lin ◽  
Ming-Kang Tsai ◽  
Jer-Lai Kuo ◽  
Jeng-Da Chai
Keyword(s):  
Radical Cation ◽  
Density Functional ◽  
Water Dimer ◽  
Dimer Radical Cation

Reactivity and Thermochemical Properties of the Water Dimer Radical Cation in the Gas Phase

1995 ◽  
Vol 99 (42) ◽  
pp. 15444-15447 ◽  
Author(s):  
Sam P. de Visser ◽  
Leo J. de Koning ◽  
Nico M. M. Nibbering
Keyword(s):  
Gas Phase ◽  
Radical Cation ◽  
Water Dimer ◽  
Thermochemical Properties ◽  
Dimer Radical Cation

Water Dimer Radical Cation: Structures, Vibrational Frequencies, and Energetics

2009 ◽  
Vol 113 (49) ◽  
pp. 13779-13789 ◽  
Author(s):  
Qianyi Cheng ◽  
Francesco A. Evangelista ◽  
Andrew C. Simmonett ◽  
Yukio Yamaguchi ◽  
Henry F. Schaefer
Keyword(s):  
Radical Cation ◽  
Vibrational Frequencies ◽  
Water Dimer ◽  
Dimer Radical Cation

scholarly journals Density Functional Study of the Hexamethyl-(Dewar Benzene) Radical Cation and Some Related Compounds.

1997 ◽  
Vol 51 ◽  
pp. 636-640 ◽  
Author(s):  
Nessima Salhi-Benachenhou ◽  
Leif A. Eriksson ◽  
Sten Lunell ◽  
Alfonso Castiñeiras ◽  
Antonio Sousa ◽  
...  
Keyword(s):  
Radical Cation ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Related Compounds
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