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.

Electron Affinity of Hydrogen Peroxide and the [H2,O2]•-Potential Energy Surface. A Comparative DFT and ab Initio Study

1996 ◽  
Vol 100 (1) ◽  
pp. 100-110 ◽  
Author(s):  
Jan Hrušák ◽  
Heike Friedrichs ◽  
Helmut Schwarz ◽  
Holy Razafinjanahary ◽  
Henry Chermette
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electron Affinity ◽  
Energy Surface ◽  
Ab Initio Study

Ab Initio Study of the Structures and π* ←nElectronic Transition in Formic Acid−(Water)n(n= 3, 4, and 5) Hydrogen Bonded Complexes

2001 ◽  
Vol 105 (38) ◽  
pp. 8769-8774 ◽  
Author(s):  
Gustavo F. Velardez ◽  
Juan C. Ferrero ◽  
J. Alberto Beswick ◽  
Jean Pierre Daudey
Keyword(s):  
Formic Acid ◽  
Ab Initio ◽  
Acid Water ◽  
Ab Initio Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Hydrogen bonds between acetylene and formic acid: An ab initio study

2012 ◽  
Vol 112 (19) ◽  
pp. 3246-3251 ◽  
Author(s):  
M. K. D. L. Belarmino ◽  
N. B. D. Lima ◽  
M. N. Ramos
Keyword(s):  
Hydrogen Bonds ◽  
Formic Acid ◽  
Ab Initio ◽  
Ab Initio Study
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