Thermochemical Values of Oxygen-Containing Compounds from ab Initio Calculations. 1. Enthalpies of Formation of Ethers and Alcohols

1999 ◽  
Vol 103 (35) ◽  
pp. 7055-7068 ◽  
Author(s):  
DeLos F. DeTar
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Enthalpies Of Formation

Generalized Prediction of Enthalpies of Formation Using DLPNO-CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br

2019 ◽  
Vol 40 (6) ◽  
pp. 768-793 ◽  
Author(s):  
Detlev Conrad Mielczarek ◽  
Chourouk Nait Saidi ◽  
Patrice Paricaud ◽  
Laurent Catoire
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Enthalpies Of Formation

Halon thermochemistry: Ab initio calculations of the enthalpies of formation of fluoroethanes

1998 ◽  
Vol 422 (1-3) ◽  
pp. 89-98 ◽  
Author(s):  
R.J. Berry ◽  
C.J. Ehlers ◽  
D.R. Burgess ◽  
M.R. Zachariah ◽  
M.R. Nyden ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Enthalpies Of Formation
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