Theoretical study of the addition of hydrogen halides to olefins: reaction of dimeric hydrogen fluoride with ethylene

1986 ◽  
Vol 108 (5) ◽  
pp. 923-928 ◽  
Author(s):  
Carmen. Clavero ◽  
Miquel. Duran ◽  
Agusti. Lledos ◽  
Oscar N. Ventura ◽  
Juan. Bertran
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Hydrogen Halides

Hydrogen bonds between phthalimide and hydrogen fluoride: A theoretical study

2011 ◽  
Vol 111 (7-8) ◽  
pp. 1387-1394 ◽  
Author(s):  
NatháLia B. de Lima ◽  
Victor H. Rusu ◽  
Mozart N. Ramos
Keyword(s):  
Hydrogen Bonds ◽  
Hydrogen Fluoride ◽  
Theoretical Study

A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)

2020 ◽  
Vol 22 (8) ◽  
pp. 4407-4415
Author(s):  
Stefan Mattsson ◽  
Beate Paulus
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Dft Methods ◽  
Electrolyte Interface ◽  
Anhydrous Hydrogen Fluoride

Anhydrous hydrogen fluoride (HF) is electrochemically activated on Ni electrodes in the Simons process. We study the electrode/electrolyte interface using DFT methods and find the splitting of HF to be exothermic even at low cell potentials.

Theoretical study of the addition of hydrogen halides to olefins: A comparison between (HCl)2and (HF)2additions to ethylene

1987 ◽  
Vol 8 (4) ◽  
pp. 481-488 ◽  
Author(s):  
Carmen Clavero ◽  
Miquel Duran ◽  
Agustí Lledós ◽  
Oscar N. Ventura ◽  
Juan Bertrán
Keyword(s):  
Theoretical Study ◽  
Hydrogen Halides

Theoretical study of anion-molecule interactions: hydride + hydrogen fluoride .fwdarw. hydrogen + fluoride

1991 ◽  
Vol 95 (3) ◽  
pp. 1074-1076 ◽  
Author(s):  
Jeffrey A. Nichols ◽  
Rick A. Kendall ◽  
Samuel J. Cole ◽  
Jack Simons
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Hydride Hydrogen ◽  
Molecule Interactions

Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride

2009 ◽  
Vol 916 (1-3) ◽  
pp. 72-75 ◽  
Author(s):  
Przemysław Dopieralski ◽  
Jarosław Panek ◽  
Krzysztof Mierzwicki ◽  
Zdzisław Latajka ◽  
Henryk Ratajczak ◽  
...  
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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