Structure and Stability of VO2+in Aqueous Solution:  A Car−Parrinello and Static ab Initio Study

2007 ◽  
Vol 46 (12) ◽  
pp. 4835-4843 ◽  
Author(s):  
Aymeric Sadoc ◽  
Sabri Messaoudi ◽  
Eric Furet ◽  
Régis Gautier ◽  
Eric Le Fur ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability

scholarly journals Structure and Stability of VO2+ in Aqueous Solution: A Car—Parrinello and Static ab initio Study.

ChemInform ◽  
2007 ◽  
Vol 38 (34) ◽  
Author(s):  
Aymeric Sadoc ◽  
Sabri Messaoudi ◽  
Eric Furet ◽  
Regis Gautier ◽  
Eric Le Fur ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability

scholarly journals Ab Initio Study of CO2 Capture Mechanisms in Monoethanolamine Aqueous Solution: Reaction Pathways from Carbamate to Bicarbonate

2013 ◽  
Vol 37 ◽  
pp. 400-406 ◽  
Author(s):  
Yoichi Matsuzaki ◽  
Hidetaka Yamada ◽  
Firoz A. Chowdhury ◽  
Takayuki Higashii ◽  
Shingo Kazama ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Co2 Capture ◽  
Reaction Pathways ◽  
Ab Initio Study ◽  
Solution Reaction

ChemInform Abstract: Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study.

ChemInform ◽  
2010 ◽  
Vol 26 (35) ◽  
pp. no-no
Author(s):  
H. KUDO ◽  
M. HASHIMOTO ◽  
K. YOKOYAMA ◽  
C. H. WU ◽  
A. E. DORIGO ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability ◽  
Abstract Structure

Tautomerism of Neutral and Protonated 6-Thioguanine in the Gas Phase and in Aqueous Solution. An ab Initio Study

1995 ◽  
Vol 60 (4) ◽  
pp. 969-976 ◽  
Author(s):  
C. Alhambra ◽  
F. J. Luque ◽  
J. Estelrich ◽  
Modesto Orozco
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study

1995 ◽  
Vol 99 (17) ◽  
pp. 6477-6482 ◽  
Author(s):  
Hiroshi Kudo ◽  
Masashi Hashimoto ◽  
Keiichi Yokoyama ◽  
C. H. Wu ◽  
Andrea E. Dorigo ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Stability
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