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Alkali and alkaline earth metal compounds: core—valence basis sets and importance of subvalence correlation
Core-valence basis sets for the alkali and alkaline earth metals Li, Be, Na, Mg, K, and Ca are proposed. The basis sets are validated by calculating spectroscopic constants of a variety of diatomic… Expand
W3 theory: robust computational thermochemistry in the kJ/mol accuracy range.
- A. D. Boese, Mikhal Oren, Onur Atasoylu, Jan M. L. Martin, Mihály Kállay, J. Gauss
- Chemistry, Physics
- The Journal of chemical physics
- 14 November 2003
We are proposing a new computational thermochemistry protocol denoted W3 theory, as a successor to W1 and W2 theory proposed earlier [Martin and De Oliveira, J. Chem. Phys. 111, 1843 (1999)]. The new… Expand
Thermodynamic Properties of C1 and C2 Bromo Compounds and Radicals. A Relativistic ab Initio Study
Heats of formation for a number of key C1 and C2 bromoalkanes and radicals have been calculated ab initio, both directly using an all-relativistic variant of W2 theory and indirectly using… Expand
Semitic Languages in Contact—Syntactic Changes in the Verbal System and in Verbal Complementation
Interference in Ancient Languages as Evidenced by Governed Prepositions
- Mikhal Oren
- 1 April 2013