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

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 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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