Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding:  Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl Compounds with Hydrogen Fluoride†

1999 ◽  
Vol 103 (34) ◽  
pp. 6793-6799 ◽  
Author(s):  
Boris Galabov ◽  
Petia Bobadova-Parvanova
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Hydrogen Fluoride ◽  
Electrostatic Potential ◽  
Carbonyl Compounds ◽  
Molecular Electrostatic Potential ◽  
Reactivity Index ◽  
Molecular Orbital Study ◽  
Orbital Study

Hydrogen bonding. Part 81. Infrared and molecular orbital study of the hydrates of N,N-dimethyl-1-adamantamine-hydrogen fluoride

2002 ◽  
Vol 642 (1-3) ◽  
pp. 85-91 ◽  
Author(s):  
Kenneth M Harmon ◽  
Eranda Nicolla ◽  
Nicole M Benning
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Hydrogen Fluoride ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab initio molecular orbital study on the electronic structure of some excited hydrogen-bonding systems

1984 ◽  
Vol 88 (6) ◽  
pp. 1052-1055 ◽  
Author(s):  
Hidetsugu Tanaka ◽  
Kichisuke Nishimoto
Keyword(s):  
Hydrogen Bonding ◽  
Electronic Structure ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Bonding Systems

scholarly journals Ab Initio Molecular Orbital Study of Reactivity of Active Alkyl Groups. II. Deprotonation of Some Acyclic Carbonyl Compounds with Methoxide Anion.

1991 ◽  
Vol 39 (10) ◽  
pp. 2475-2482 ◽  
Author(s):  
Tokihiro NIIYA ◽  
Miho YUKAWA ◽  
Hiroki MORISHITA ◽  
Hirohito IKEDA ◽  
Yoshinobu GOTO
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Carbonyl Compounds ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Alkyl Groups ◽  
Methoxide Anion

ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF SUBSTITUTED CARBONYL COMPOUNDS

1975 ◽  
Vol 6 (14) ◽  
Author(s):  
JANET E. DEL BENE ◽  
GUY T. WORTH ◽  
FRANCIS T. MARCHESE ◽  
MICHAEL E. CONRAD
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Carbonyl Compounds ◽  
Molecular Orbital Study ◽  
Orbital Study

ChemInform Abstract: Hydrogen Bonding and Tautomerism in 3-Substituted β-Thioxoketones: An ab initio Molecular Orbital Study.

ChemInform ◽  
2010 ◽  
Vol 22 (33) ◽  
pp. no-no
Author(s):  
S. MILLEFIORI ◽  
S. DI BELLA
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study
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