Dimers of Formic Acid, Acetic Acid, Formamide and Pyrrole-2-carboxylic Acid:  an Ab Initio Study

2005 ◽  
Vol 109 (29) ◽  
pp. 6397-6405 ◽  
Author(s):  
Robert W. Gora ◽  
Sławomir J. Grabowski ◽  
Jerzy Leszczynski
Keyword(s):  
Acetic Acid ◽  
Carboxylic Acid ◽  
Formic Acid ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio proton affinities of formic acid, acetic acid, methanol, and ethanol

1990 ◽  
Vol 94 (21) ◽  
pp. 8041-8044 ◽  
Author(s):  
Ellak I. Von Nagy-Felsobuki ◽  
Katsumi. Kimura
Keyword(s):  
Acetic Acid ◽  
Formic Acid ◽  
Ab Initio ◽  
Proton Affinities

Ab initio study on the mechanism of rhodium-complexcatalyzed carbonylation of methanol to acetic acid

2001 ◽  
Vol 44 (5) ◽  
pp. 465-472
Author(s):  
Ming Lei ◽  
Wenlin Feng ◽  
Maorong Hao ◽  
Yongqiang Ji ◽  
Zhenfeng Xu
Keyword(s):  
Acetic Acid ◽  
Ab Initio ◽  
Ab Initio Study

A mechanism for carbon isotope exchange between aqueous acetic acid and : An ab initio study

2005 ◽  
Vol 36 (6) ◽  
pp. 835-850 ◽  
Author(s):  
Mihali A. Felipe ◽  
James D. Kubicki ◽  
Katherine H. Freeman
Keyword(s):  
Acetic Acid ◽  
Ab Initio ◽  
Carbon Isotope ◽  
Isotope Exchange ◽  
Aqueous Acetic Acid ◽  
Ab Initio Study

A spectroscopic and ab initio study of the hydrogen peroxide–formic acid complex: hindering the internal motion of H2O2

2018 ◽  
Vol 20 (33) ◽  
pp. 21345-21351 ◽  
Author(s):  
Leo Yuxiu Li ◽  
Nathan A. Seifert ◽  
Fan Xie ◽  
Matthias Heger ◽  
Yunjie Xu ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Formic Acid ◽  
Ab Initio ◽  
Internal Motion ◽  
Ab Initio Study ◽  
Acid Complex

Hydrogen peroxide imprints its chirality onto the H2O2–formic acid complex, which results in an asymmetric tunnelling potential.

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