Results 181 to 190 of about 30,941 (214)

Replacing thermochemistry

C&EN Global Enterprise, 2023
openaire   +1 more source

Self-interaction-free exchange-correlation functional for thermochemistry and kinetics

Journal of Chemical Physics, 2006
Aron J Cohen, Weitao Yang
exaly  

Thermochemistry

2006
openaire   +1 more source

G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry

Journal of Chemical Physics, 2003
David J Henry, Michael B Sullivan, Leo Radom   +2 more
exaly  

Thermochemistry

2002
openaire   +1 more source

Thermochemistry

2008
M.V. Roux, M. Temprado
openaire   +1 more source

Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals

Journal of Chemical Physics, 1997
Axel D Becke
exaly  

Thermochemistry of Microporous and Mesoporous Materials

Chemical Reviews, 2009
Alexandra Navrotsky
exaly  

Thermochemistry

Nature, 1957
openaire   +1 more source

Thermochemistry

1974
C. Heald, A. C. K. Smith
openaire   +1 more source