protonated acetaldehyde
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Can Interstellar CH3OCH3 + H+ Lead to Protonated Acetaldehyde CH3CHOH+?

2019 19th International Conference on Computational Science and Its Applications (ICCSA) ◽

10.1109/iccsa.2019.00012 ◽

2019 ◽

Author(s):

Fanny Vazart

Keyword(s):

Protonated Acetaldehyde

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Competing mechanisms for methyl cation formation upon collision-induced dissociation of protonated acetaldehyde

International Journal of Mass Spectrometry ◽

10.1016/s1387-3806(01)00356-6 ◽

2001 ◽

Vol 207 (1-2) ◽

pp. 69-72 ◽

Author(s):

Paul G. Wenthold ◽

Xinping Liu

Keyword(s):

Collision Induced Dissociation ◽

Protonated Acetaldehyde ◽

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Direct Experimental Determination of the Energy Barriers for Methyl Cation Transfer in the Reactions of Methanol with Protonated Methanol, Protonated Acetonitrile, and Protonated Acetaldehyde: A Low Pressure FTICR Study

The Journal of Physical Chemistry A ◽

10.1021/jp0043165 ◽

2001 ◽

Vol 105 (15) ◽

pp. 3816-3824 ◽

Author(s):

Travis D. Fridgen ◽

Jonathan D. Keller ◽

Terry B. McMahon

Keyword(s):

Experimental Determination ◽

Low Pressure ◽

Energy Barriers ◽

Protonated Acetaldehyde ◽

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Transition State Imbalances in Gas Phase Proton Transfers.Ab InitioStudy of the Carbon-to-Carbon Proton Transfer from the Protonated Acetaldehyde Cation to Acetaldehyde Enol

Journal of the American Chemical Society ◽

10.1021/ja960233j ◽

1996 ◽

Vol 118 (43) ◽

pp. 10494-10504 ◽

Author(s):

Claude F. Bernasconi ◽

Philip J. Wenzel

Keyword(s):

Proton Transfer ◽

Transition State ◽

Gas Phase ◽

Protonated Acetaldehyde

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Elimination of methane from protonated acetaldehyde: The Ab initio transition state

Journal of the American Society for Mass Spectrometry ◽

10.1016/1044-0305(94)85071-2 ◽

1994 ◽

Vol 5 (12) ◽

pp. 1102-1106 ◽

Author(s):

Charles E. Hudson ◽

Liberty DeLeon ◽

Don Alstyne ◽

David J. McAdoo

Keyword(s):

Transition State ◽

Ab Initio ◽

Protonated Acetaldehyde

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Reaction of protonated acetaldehyde with methanol in the gas phase

Organic Mass Spectrometry ◽

10.1002/oms.1210281020 ◽

1993 ◽

Vol 28 (10) ◽

pp. 1101-1105 ◽

Author(s):

S. König ◽

P. Kofel ◽

H. Reinhard ◽

M. Sägesser ◽

U. P. Schlunegger

Keyword(s):

Gas Phase ◽

Protonated Acetaldehyde

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Erratum to: A study of the gas-phase reaction between protonated acetaldehyde and reaction between protonated acetaldehyde and methanol

Journal of the American Society for Mass Spectrometry ◽

10.1016/1044-0305(91)80054-b ◽

1991 ◽

Vol 2 (3) ◽

pp. 259-259

Author(s):

Gregory G. Dolnikowski ◽

Timothy G. Heath ◽

J. Throck Watson ◽

James H. Scrivens ◽

Christian H. Rolando

Keyword(s):

Gas Phase ◽

Phase Reaction ◽

Gas Phase Reaction ◽

Protonated Acetaldehyde

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A study of the gas-phase reaction between protonated acetaldehyde and methanol

Journal of the American Society for Mass Spectrometry ◽

10.1016/1044-0305(90)85031-g ◽

1990 ◽

Vol 1 (6) ◽

pp. 481-488 ◽

Author(s):

Gregory G. Dolnikowski ◽

Timothy G. Heath ◽

J.Throck Watson ◽

James H. Scrivens ◽

Christian H. Rolando

Keyword(s):

Gas Phase ◽

Phase Reaction ◽

Gas Phase Reaction ◽

Protonated Acetaldehyde

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Protonated acetaldehyde clusters: Stability, structure and metastable unimolecular decomposition

Chemical Physics Letters ◽

10.1016/0009-2614(90)85097-v ◽

1990 ◽

Vol 168 (1) ◽

pp. 30-36 ◽

Author(s):

W.B. Tzeng ◽

S. Wei ◽

A.W. Castleman

Keyword(s):

Unimolecular Decomposition ◽

Stability Structure ◽

Protonated Acetaldehyde

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Semi-empirical MO study of refractions modelling biochemical oxidation of ethanol

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19830484 ◽

1983 ◽

Vol 48 (2) ◽

pp. 484-503

Author(s):

Jiří Krechl ◽

Josef Kuthan

Keyword(s):

Quantum Chemical ◽

Wave Functions ◽

Chemical Characteristics ◽

Biochemical Reactions ◽

Biochemical Oxidation ◽

Gradient Optimization ◽

Semi Empirical ◽

Protonated Acetaldehyde ◽

Oxidation Of Ethanol

The EHT, CNDO/2 and INDO methods have been used to find the energetically most favourable arrangement of the supermolecules 1-methylnicotiniumamide cation (I - ethanol (II),I - ethoxide anion (III) and 1-methyl-1,4-dihydronicotinamide (IV) - protonated acetaldehyde (V). An attempt has been made to define with more precision these geometries with the use of the gradient optimization based on CNDO/2 wave functions. Quantum-chemical characteristics of the studied systems are discussed with respect to possible course of biochemical reactions.

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