AAAAAA

   
Results: 1-11 |
Results: 11
Diatomic molecules between very heavy elements of group 13 and group 17: Astudy of relativistic effects on bonding
Authors: Faegri, K Saue, T
Citation: K. Faegri et T. Saue, Diatomic molecules between very heavy elements of group 13 and group 17: Astudy of relativistic effects on bonding, J CHEM PHYS, 115(6), 2001, pp. 2456-2464
Fully relativistic configuration-interaction calculations on the vibrational and electronic structure of the 2p(-1)-> 3p(pi,sigma)(-2) normal Auger-electron spectrum of HCl - art. no. 032502
Authors: Ellingsen, K Matila, T Saue, T Aksela, H Gropen, O
Citation: K. Ellingsen et al., Fully relativistic configuration-interaction calculations on the vibrational and electronic structure of the 2p(-1)-> 3p(pi,sigma)(-2) normal Auger-electron spectrum of HCl - art. no. 032502, PHYS REV A, 6203(3), 2000, pp. 2502
Vibrational and electronic structure of the 3d(-1)-> 4p(pi,sigma)(-2) normal Auger spectrum of HBr studied by fully relativistic configuration-interaction calculations - art. no. 032712
Authors: Matila, T Ellingsen, K Saue, T Aksela, H Gropen, O
Citation: T. Matila et al., Vibrational and electronic structure of the 3d(-1)-> 4p(pi,sigma)(-2) normal Auger spectrum of HBr studied by fully relativistic configuration-interaction calculations - art. no. 032712, PHYS REV A, 6103(3), 2000, pp. 2712
Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation
Authors: Visscher, L Saue, T
Citation: L. Visscher et T. Saue, Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation, J CHEM PHYS, 113(10), 2000, pp. 3996-4002
Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H
Authors: Enevoldsen, T Visscher, L Saue, T Jensen, HJA Oddershede, J
Citation: T. Enevoldsen et al., Relativistic four-component calculations of indirect nuclear spin-spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)(3)H, J CHEM PHYS, 112(8), 2000, pp. 3493-3498
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides
Authors: Visscher, L Enevoldsen, T Saue, T Jensen, HJA Oddershede, J
Citation: L. Visscher et al., Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides, J COMPUT CH, 20(12), 1999, pp. 1262-1273
Quaternion symmetry in relativistic molecular calculations: The Dirac-Hartree-Fock method
Authors: Saue, T Jensen, HJA
Citation: T. Saue et Hja. Jensen, Quaternion symmetry in relativistic molecular calculations: The Dirac-Hartree-Fock method, J CHEM PHYS, 111(14), 1999, pp. 6211-6222
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
Authors: Aucar, GA Saue, T Visscher, L Jensen, HJA
Citation: Ga. Aucar et al., On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties, J CHEM PHYS, 110(13), 1999, pp. 6208-6218
Theoretical studies of the actinides: method calibration for the UO22+ andPuO22+ ions
Authors: Ismail, N Heully, JL Saue, T Daudey, JP Marsden, CJ
Citation: N. Ismail et al., Theoretical studies of the actinides: method calibration for the UO22+ andPuO22+ ions, CHEM P LETT, 300(3-4), 1999, pp. 296-302
A fully relativistic Dirac-Hartree-Fock and second-order Moller-Plesset study of the lanthanide and actinide contraction
Authors: Laerdahl, JK Faegri, K Visscher, L Saue, T
Citation: Jk. Laerdahl et al., A fully relativistic Dirac-Hartree-Fock and second-order Moller-Plesset study of the lanthanide and actinide contraction, J CHEM PHYS, 109(24), 1998, pp. 10806-10817
Molecular relativistic calculations of the electric field gradients at thenuclei in the hydrogen halides
Authors: Visscher, L Enevoldsen, T Saue, T Oddershede, J
Citation: L. Visscher et al., Molecular relativistic calculations of the electric field gradients at thenuclei in the hydrogen halides, J CHEM PHYS, 109(22), 1998, pp. 9677-9684
Risultati: 1-11 |