Ab Initio Study of Gas-Phase Proton Transfer in Ammonia−Hydrogen Halides and the Influence of Water Molecules

1999 ◽  
Vol 103 (38) ◽  
pp. 7719-7724 ◽  
Author(s):  
James A. Snyder ◽  
Robert A. Cazar ◽  
Alan J. Jamka ◽  
Fu-Ming Tao
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Gas Phase ◽  
Water Molecules ◽  
Ab Initio Study ◽  
Hydrogen Halides ◽  
Influence Of Water

Ab initio study of gas-phase sulphuric acid hydrates containing 1 to 3 water molecules

1998 ◽  
Vol 108 (3) ◽  
pp. 1031-1039 ◽  
Author(s):  
Hanna Arstila ◽  
Kari Laasonen ◽  
Ari Laaksonen
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Sulphuric Acid ◽  
Water Molecules ◽  
Ab Initio Study

Gas phase conformational basicity of carvedilol Fragment B, 2(S)-1-(ethylamonium)propane-2-ol: An ab initio study on a protonophoretic of oxidative phosphorylation uncoupling

2003 ◽  
Vol 631 (1-3) ◽  
pp. 251-270 ◽  
Author(s):  
David R.P. Almeida ◽  
Donna M. Gasparro ◽  
Luca F. Pisterzi ◽  
Ladislaus L. Torday ◽  
Andras Varro ◽  
...  
Keyword(s):  
Oxidative Phosphorylation ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study
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