Results 171 to 180 of about 30,941 (214)

Alkaloids and Selected Topics in Their Thermochemistry

Molecules, 2021
Maja Ponikvar-Svet, Joel F Liebman
exaly  

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Journal of Chemical Physics, 2006
Yan Zhao, Donald G Truhlar
exaly  

W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range

Journal of Chemical Physics, 2004
A Daniel Boese, Jan M L Martin, Mihaly Kallay   +2 more
exaly  

Ab Initio Thermochemistry of Solid‐State Materials

Angewandte Chemie - International Edition, 2010
Richard Dronskowski
exaly  

High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification

Journal of Chemical Physics, 2006
Yannick J Bomble, Mihaly Kallay, P\u00e9ter G Szalay   +2 more
exaly  

Thermochemistry

2016
openaire   +1 more source

Thermochemistry

Nuclear Instruments and Methods in Physics Research, 1981
openaire   +1 more source

Accurate thermochemistry for larger molecules: Gaussian-2 theory with bond separation energies

Journal of Chemical Physics, 1997
Krishnan Raghavachari, Boris B Stefanov
exaly  

THERMOCHEMISTRY

1979
openaire   +1 more source

Thermochemistry

2004
openaire   +1 more source