Molecular mechanics and ab initio studies of the structures, heats of formation, conformations, and strain energies of azoalkanes

1979 ◽  
Vol 101 (19) ◽  
pp. 5546-5557 ◽  
Author(s):  
James Kao ◽  
Tai-Nang Huang
Keyword(s):  
Ab Initio ◽  
Molecular Mechanics ◽  
Heats Of Formation

Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. Alcohols and ethers

1992 ◽  
Vol 114 (8) ◽  
pp. 2880-2883 ◽  
Author(s):  
Norman L. Allinger ◽  
Lawrence R. Schmitz ◽  
Ioan Motoc ◽  
Charles Bender ◽  
Jan K. Labanowski
Keyword(s):  
Ab Initio ◽  
Molecular Mechanics ◽  
Organic Molecules ◽  
Heats Of Formation

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides:  Surprisingly Demanding Targets for High-Level ab Initio Procedures

2003 ◽  
Vol 107 (29) ◽  
pp. 5617-5630 ◽  
Author(s):  
Michael B. Sullivan ◽  
Mark A. Iron ◽  
Paul C. Redfern ◽  
Jan M. L. Martin ◽  
Larry A. Curtiss ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Oxides ◽  
Ab Initio ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Heats Of Formation ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Oxides ◽  
High Level
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