Photodissociation of Acetic Acid in the Gas Phase:  An ab Initio Study

2002 ◽  
Vol 67 (24) ◽  
pp. 8407-8415 ◽  
Author(s):  
Wei-Hai Fang ◽  
Ruo-Zhuang Liu ◽  
Xuming Zheng ◽  
David Lee Phillips
Keyword(s):  
Acetic Acid ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

Ab Initio Study of the Carbon-to-Carbon Identity Proton Transfer from Ketene to Its Anion in the Gas Phase

2001 ◽  
Vol 123 (10) ◽  
pp. 2430-2431 ◽  
Author(s):  
Claude F. Bernasconi ◽  
Philip J. Wenzel
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

Gas Phase and Aqueous Thermochemistry of Hydrazine and Related Radicals and the Energy Profiles of Reactions with H•and OH•:  An ab Initio Study

1997 ◽  
Vol 101 (26) ◽  
pp. 4761-4769 ◽  
Author(s):  
D. A. Armstrong ◽  
D. Yu ◽  
A. Rauk
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study ◽  
Energy Profiles

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

Conformation and structure of 1,1,1,4,4,4-hexafluorobutane. A gas-phase electron diffraction and ab initio study

1992 ◽  
Vol 273 ◽  
pp. 317-322 ◽  
Author(s):  
Hans-Georg Mack ◽  
Heinz Oberhammer ◽  
Dietmar Bielefeldt
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study ◽  
Gas Phase Electron Diffraction

On the formation of doubly charged cation radicals from acetyl and 1-hydroxyvinyl cations in the gas phase. A combined experimental and ab initio study

1985 ◽  
Vol 67 (2) ◽  
pp. 171-177 ◽  
Author(s):  
Wolfram Koch ◽  
Helmut Schwarz ◽  
Francis Maquin ◽  
Daniel Stahl
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study ◽  
Cation Radicals ◽  
Doubly Charged

Unimolecular reactions of the enolic tautomer of ionized acetic acid in the gas phase: an ab initio and RRKM study

1988 ◽  
Vol 92 (12) ◽  
pp. 3336-3341 ◽  
Author(s):  
Rosa Caballol ◽  
Josep M. Poblet ◽  
Jose Pedro Sarasa ◽  
Santiago Olivella ◽  
Albert Sole
Keyword(s):  
Acetic Acid ◽  
Ab Initio ◽  
Gas Phase ◽  
Unimolecular Reactions

Mechanisms of reactions of BH2+, HBOH+, and H2BOH2+ with H2O. An experimental gas phase isotope labeling and theoretical ab initio study

1998 ◽  
Vol 179-180 ◽  
pp. 55-60 ◽  
Author(s):  
Roustam Gareyev ◽  
Travis J. DePuy ◽  
Veronica M. Bierbaum ◽  
Charles H. DePuy
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Isotope Labeling ◽  
Ab Initio Study ◽  
Mechanisms Of Reactions

An ab initio study of the stationary structures of the major gas-phase tautomer of adenine

1991 ◽  
Vol 177 (4-5) ◽  
pp. 447-450 ◽  
Author(s):  
Noel V. Riggs
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study
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