An ab Initio Study of Proton Transfers from Gas-Phase Dications:  Complications in Kinetic Methods for Determining Acidities

Scott Gronert

doi:10.1021/ja952728z

An ab Initio Study of Proton Transfers from Gas-Phase Dications: Complications in Kinetic Methods for Determining Acidities

Journal of the American Chemical Society ◽

10.1021/ja952728z ◽

1996 ◽

Vol 118 (14) ◽

pp. 3525-3526 ◽

Cited By ~ 20

Author(s):

Scott Gronert

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Kinetic Methods ◽

Proton Transfers

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Is There a Transition-State Imbalance for Proton Transfers in the Gas Phase? Ab Initio Study of the Carbon-to-Carbon Proton Transfer from Acetaldehyde to Its Enolate Ion

Journal of the American Chemical Society ◽

10.1021/ja00091a052 ◽

1994 ◽

Vol 116 (12) ◽

pp. 5405-5413 ◽

Cited By ~ 26

Author(s):

Claude F. Bernasconi ◽

Philip J. Wenzel

Keyword(s):

Proton Transfer ◽

Transition State ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Proton Transfers

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Carbon-to-Carbon Identity Proton Transfers from Propyne, Acetimide, Thioacetaldehyde, and Nitrosomethane to Their Respective Conjugate Anions in the Gas Phase. An ab Initio Study

The Journal of Organic Chemistry ◽

10.1021/jo001543u ◽

2001 ◽

Vol 66 (3) ◽

pp. 968-979 ◽

Cited By ~ 7

Author(s):

Claude F. Bernasconi ◽

Philip J. Wenzel

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Proton Transfers

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

Journal of the American Chemical Society ◽

10.1021/ja003858x ◽

2001 ◽

Vol 123 (10) ◽

pp. 2430-2431 ◽

Cited By ~ 4

Author(s):

Claude F. Bernasconi ◽

Philip J. Wenzel

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study

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

The Journal of Physical Chemistry A ◽

10.1021/jp964057c ◽

1997 ◽

Vol 101 (26) ◽

pp. 4761-4769 ◽

Cited By ~ 12

Author(s):

D. A. Armstrong ◽

D. Yu ◽

A. Rauk

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Energy Profiles

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ChemInform Abstract: Gas-Phase Structure and Conformations of Malonyl Difluoride (COF-CH2- COF) and Difluoromalonyl Difluoride (COF-CF2-COF). An Electron Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199205049 ◽

2010 ◽

Vol 23 (5) ◽

pp. no-no

Author(s):

A. JIN ◽

H.-G. MACK ◽

A. WATERFELD ◽

H. OBERHAMMER

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Phase Structure ◽

Ab Initio Study ◽

Gas Phase Structure

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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

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00258-6 ◽

2003 ◽

Vol 631 (1-3) ◽

pp. 251-270 ◽

Cited By ~ 5

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

Journal of Molecular Structure ◽

10.1016/0022-2860(92)87097-f ◽

1992 ◽

Vol 273 ◽

pp. 317-322 ◽

Cited By ~ 3

Author(s):

Hans-Georg Mack ◽

Heinz Oberhammer ◽

Dietmar Bielefeldt

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Gas Phase Electron Diffraction

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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

International Journal of Mass Spectrometry and Ion Processes ◽

10.1016/0168-1176(85)80016-1 ◽

1985 ◽

Vol 67 (2) ◽

pp. 171-177 ◽

Cited By ~ 6

Author(s):

Wolfram Koch ◽

Helmut Schwarz ◽

Francis Maquin ◽

Daniel Stahl

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Cation Radicals ◽

Doubly Charged

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Stabilizing the zwitter-ionic form of amino acids in the gas phase: An ab initio study on the minimum number of solvents and ions

Chemical Physics Letters ◽

10.1016/j.cplett.2014.07.058 ◽

2014 ◽

Vol 610-611 ◽

pp. 345-350 ◽

Cited By ~ 9

Author(s):

Arup Kumar Pathak

Keyword(s):

Amino Acids ◽

Ab Initio ◽

Gas Phase ◽

Ionic Form ◽

Ab Initio Study ◽

Minimum Number

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

International Journal of Mass Spectrometry ◽

10.1016/s1387-3806(98)14059-9 ◽

1998 ◽

Vol 179-180 ◽

pp. 55-60 ◽

Cited By ~ 3

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

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