Supplementary material to book chapter:
W1 and W2 theory and theory variants: thermochemistry
in the kJ/mol accuracy range
by
Jan M.L. Martin and Srinivasan Parthiban
in Quantum Mechanical Prediction of Thermochemical Data, edited by J.
Cioslowski, (Understanding Chemical Reactivity series, vol. 22, ISBN 0-7923-7077-5),
Kluwer Academic Publishers, Dordrecht (The Netherlands), 2001,
Chapter 2, pp. 31-65. [Publisher book info]
[Reprint of chapter available
on intranet only. e-Postprint available via arXiv.org.]
Comparison of W1 and W1h results for ionization potentials, electron affinities,
and heats of formation of the G2/97 test set.
[ LaTeX format | PDF (Adobe Acrobat) format]
Comparison of W2 and W2h results for electron affinities from the G2/97 test set
[ LaTeX format | PDF
(Adobe Acrobat) format]
Comparison of W1, W1h, W2, and W2h for electron affinities and heats of
formation for the G2-1 test set
[ LaTeX format | PDF
(Adobe Acrobat) format]
For questions or problem reports, Email comartin@wicc.weizmann.ac.il