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9 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Band structure representations of the electronic structure of one-dimensional materials with helical symmetry	Glassey, Wingfield V.		2002	107	5	p. 272-281	article
2	Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides	Bachrach, Steven M.		2002	107	5	p. 266-271	article
3	Dipole–reaction field interaction model for the solvent reorganization energy and its application to the benzoquinone–benzoquinone anion radical system	Li, Xiang-Yuan		2002	107	5	p. 282-290	article
4	Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium	de Jong, W.A.		2002	107	5	p. 318	article
5	MnO+: a challenge for density functional theory methods	Bauschlicher Jr., Charles W.		2002	107	5	p. 309-312	article
6	Multireference perturbation configuration interaction V. Third-order energy contributions in the Møller–Plesset and Epstein–Nesbet partitions	Angeli, Celestino		2002	107	5	p. 313-317	article
7	Some thoughts about the stability and reliability of commonly used exchange–correlation functionals – coverage of dynamic and nondynamic correlation effects	Polo, Victor		2002	107	5	p. 291-303	article
8	Theoretical study on structures and stability of HC2P isomers	Ding, Yi-hong		2002	107	5	p. 253-265	article
9	Using the locality of the small-component density in molecular Dirac–Hartree-Fock calculations	de Jong, G. Theodoor		2002	107	5	p. 304-308	article

9 results found

Koninklijke Bibliotheek - National Library of the Netherlands