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Results 1 to 25 of 973

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Ab initio calculations of gj factors for Li, Be+, and Ba+LINDROTH, E; YNNERMAN, A.Physical review. A. 1993, Vol 47, Num 2, pp 961-970, issn 1050-2947Article

All-electron molecular Dirac-Hartree-Fock calculations : properties of the group IV monoxides GeO, SnOn, and PbODYALL, K. G.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2191-2197, issn 0021-9606Article

Relativistic corrections to alkali atom g-factorsMARKETOS, P.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 27, Num 3, pp 219-222, issn 0178-7683Article

Finite nucleus effects on relativistic energy correctionsDYALL, K. G; FÆGRI, K. JR.Chemical physics letters. 1993, Vol 201, Num 1-4, pp 27-32, issn 0009-2614Article

Non-relativistic radiative corrections to the charge density distribution of the hydrogen atomCOMPAGNO, G; PACHUCKI, K; SALAMONE, G. M et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 6, pp 1091-1101, issn 0953-4075Article

Relativistic effects on the bonding and properties of the hydrides of platinumDYALL, K. G.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9678-9686, issn 0021-9606Article

Relativistic regular two-component HamiltoniansVAN LENTHE, E; BAERENDS, E. J; SNIJDERS, J. G et al.The Journal of chemical physics. 1993, Vol 99, Num 6, pp 4597-4610, issn 0021-9606Article

Finite element multiconfiguration Hartree-Fock calculations on carbon, oxygen, and neon : the nuclear quadrupole moments of 11C, 17O, and 21NeSUNDHOLM, D; OLSEN, J.Journal of physical chemistry (1952). 1992, Vol 96, Num 2, pp 627-630, issn 0022-3654Article

All-electron molecular Dirac-Hartree-Fock calculations : properties of the XH4 and XH2 molecules and the reaction energy XH4→XH2+H2, X=Si, Ge, Sn, PbDYALL, K. G.The Journal of chemical physics. 1992, Vol 96, Num 2, pp 1210-1217, issn 0021-9606Article

Extended relativistic representation of spin-1/2 particlesGOLDMAN, S. P.Journal of physics. B. Atomic, molecular and optical physics (Print). 1992, Vol 25, Num 3, pp 629-648, issn 0953-4075Article

Relativistic all-electron molecular Hartree-Fock-Dirac-(Breit) calculations on CH4, SiH4, GeH4, SnH4, PbH4VISSER, O; VISSCHER, L; AERTS, P. J. C et al.Theoretica chimica acta. 1992, Vol 81, Num 6, pp 405-416, issn 0040-5744Article

Relativistic calculations of the 2 1So-21,3P1 transitions in berylliumlike molybdenum and berylliumlike ironLINDROTH, E; HVARFNER, J.Physical review. A. 1992, Vol 45, Num 5, pp 2771-2776, issn 1050-2947Article

second-order polarization energies for Rydberg statesSWAINSON, R. A; DRAKE, G. W. F.Canadian journal of physics (Print). 1992, Vol 70, Num 2-3, pp 187-190, issn 0008-4204Article

Kramers' restricted Hartree-Fock method for polyatomic molecules using Ab initio relativistic effective core potentials with spin-orbit operatorsSANG YEON LEE; YOON SUP LEE.Journal of computational chemistry. 1992, Vol 13, Num 5, pp 595-601, issn 0192-8651Article

Relativistic calculations on platinum hydride using effective core potentials and first-order perturbation theoryGROPEN, O; ALMHÖF, J; WAHLGREN, U et al.The Journal of chemical physics. 1992, Vol 96, Num 11, pp 8363-8366, issn 0021-9606Article

Relativistic corrections in the LCGTO-local-spin-density method. I: Atomic bases for transition metalsWILKIN, A; SALAHUB, D. R.International journal of quantum chemistry. 1992, Vol 42, Num 4, pp 977-995, issn 0020-7608Article

Relativistic effects in physics and chemistry of element 105. I: Periodicities in properties of group 5 elements. Electronic structure of the pentachloridesPERSHINA, V; SEPP, W.-D; FRICKE, B et al.The Journal of chemical physics. 1992, Vol 96, Num 11, pp 8367-8378, issn 0021-9606Article

New data on physically admissible ratios of slater integrals for f electronsVOKHMIN, V. G; IONOVA, G. V.Russian journal of physical chemistry. 1992, Vol 66, Num 10, pp 1486-1487, issn 0036-0244Article

Energy and fine structure of 1s2nd and 1s2nf states for the lithium isoelectronic sequenceWANG, Z.-W; ZHU, X.-W; CHUNG, K. T et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1992, Vol 25, Num 19, pp 3915-3927, issn 0953-4075Article

Magnetic interactions in a three center, four electron systemHART, J. R; RAPPE, A. K; GORUN, S. M et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 15, pp 6255-6263, issn 0022-3654Article

The relativistic open shell coupled cluster method direct calculation of excitation energies in the Ne atomILYABAEV, E; KALDOR, U.The Journal of chemical physics. 1992, Vol 97, Num 11, pp 8455-8458, issn 0021-9606Article

Ab-initio-Rechnungen am Dimer (ClAuPH3)2 mit relativistischem Psendopotential : Ist die aurophile Attraktion ein Korrelationseffekt ? = Ab initio calculations on the (Cl Au PH3)2 dimer with relativistic pseudopotential: is the «aurophilic attraction» a correlation effectPYKKO, P; ZHAO, Y.Angewandte Chemie. 1991, Vol 103, Num 5, pp 622-623, issn 0044-8249, 2 p.Article

An accurate solution of the two-centre Dirac equation for H+2 by the finite-element methodYANG, L; HEINEMANN, D; KOLB, D et al.Chemical physics letters. 1991, Vol 178, Num 2-3, pp 213-215, issn 0009-2614, 3 p.Article

HIV inhibitory natural products. Diterpenes from homalanthus acuminatus and chrysobalanus icacGUSTAFSON, K. R; MUNRO, M. H. G; BOYD, M. R et al.Tetrahedron (Oxford. Print). 1991, Vol 47, Num 26, pp 4547-4554, issn 0040-4020, 8 p.Article

All-electron and relativistic effective core potential study of rhodium compoundsMAINS, G. J; WHITE, J. M.Journal of physical chemistry (1952). 1991, Vol 95, Num 1, pp 112-118, issn 0022-3654Article

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