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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 diatomicExpand
W3 theory: robust computational thermochemistry in the kJ/mol accuracy range.
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 newExpand
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 usingExpand
On partitive מן and ב־ in Biblical Hebrew
Taking the partitive use of מן as its starting point, this article follows two lines of investigation: one is the distinction between the partitive value of מן and other values of this preposition,Expand