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

Ab initio study of the π*â†�n electronic transition in formic acid?(water)n(n = l, 2) hydrogen bonded complexes

PhysChemComm ◽  
1999 ◽  
Vol 2 (6) ◽  
pp. 24-29 ◽  
Author(s):  
Gustavo Velardez ◽  
Jean Louis Heully ◽  
J. Alberto Beswick ◽  
Jean Pierre Daudey
Keyword(s):  
Formic Acid ◽  
Ab Initio ◽  
Electronic Transition ◽  
Acid Water ◽  
Ab Initio Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Hydrogen bonded complexes of acetylene and boric acid: A matrix isolation infrared and ab initio study

2011 ◽  
Vol 991 (1-3) ◽  
pp. 35-41 ◽  
Author(s):  
K. Sundararajan ◽  
N. Ramanathan ◽  
Bishnu Prasad Kar ◽  
K.S. Viswanathan
Keyword(s):  
Boric Acid ◽  
Ab Initio ◽  
Matrix Isolation ◽  
Ab Initio Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded

An ab-initio study of the C3H6HX, C2H4HX and C2H2HX hydrogen-bonded complexes with XF or CI

2001 ◽  
Vol 57 (7) ◽  
pp. 1339-1346 ◽  
Author(s):  
Kelson C. Lopes ◽  
Flávia S. Pereira ◽  
Mozart N. Ramos ◽  
Regiane C.M.U. de Araújo
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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