화학공학소재연구정보센터
검색결과 : 17건
No. Article
1 Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements
Dyall KG
Journal of Physical Chemistry A, 113(45), 12638, 2009
2 Is the Lamb shift chemically significant?
Dyall KG, Bauschlicher CW, Schwenke DW, Pyykko P
Chemical Physics Letters, 348(5-6), 497, 2001
3 Interfacing relativistic and nonrelativistic methods. IV. One-and two-electron scalar approximations
Dyall KG
Journal of Chemical Physics, 115(20), 9136, 2001
4 Could uranium(XII)hexoxide, UO6 (O-h) exist?
Pyykko P, Runeberg N, Straka M, Dyall KG
Chemical Physics Letters, 328(4-6), 415, 2000
5 Bond dissociation energies of the tungsten fluorides and their singly charged ions: A density functional survey
Dyall KG
Journal of Physical Chemistry A, 104(17), 4077, 2000
6 Relativistic regular approximations revisited: An infinite-order relativistic approximation
Dyall KG, van Lenthe E
Journal of Chemical Physics, 111(4), 1366, 1999
7 Interfacing relativistic and nonrelativistic methods. III. Atomic 4-spinor expansions and integral approximations
Dyall KG, Enevoldsen T
Journal of Chemical Physics, 111(22), 10000, 1999
8 Interfacing relativistic and nonrelativistic methods. II. Investigation of a low-order approximation
Dyall KG
Journal of Chemical Physics, 109(11), 4201, 1998
9 Interfacing Relativistic and Nonrelativistic Methods .1. Normalized Elimination of the Small Component in the Modified Dirac-Equation
Dyall KG
Journal of Chemical Physics, 106(23), 9618, 1997
10 Relativistic 4-Component Multiconfigurational Self-Consistent-Field Theory for Molecules - Formalism
Jensen HJ, Dyall KG, Saue T, Faegri K
Journal of Chemical Physics, 104(11), 4083, 1996