Ab initio calculation of molecular hydrogen electronic states' properties: transition matrix elements among triplet electronic states

By Spielfiedel A.   Palmieri P.   Mitrushenkov A. O.  

Molecular Physics, Vol. 102, Iss. 21-22, 2004-01 ,pp. : 2249-2258

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Ab initio calculation of the NMR shielding and indirect spin-spin coupling constants of fluoroethylene

By Helgaker Trygve   Jaszunski Michal   Ruud Kenneth  

Molecular Physics, Vol. 91, Iss. 5, 1997-08 ,pp. : 881-890

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Ab initio calculation of spin-orbit coupling constants for gaussian lobe and gaussian-type wave functions

By Abegg P.W.  

Molecular Physics, Vol. 30, Iss. 2, 1975-08 ,pp. : 579-596

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Ab initio calculation of the NMR spin-lattice relaxation time and the diffusion coefficient of 21Ne in liquid and supercritical states

By Kirchner Barbara   Ermakova Elena   Steinebrunner Gerold   Dyson Anthony J.   Huber Hanspeter  

Molecular Physics, Vol. 94, Iss. 2, 1998-06 ,pp. : 257-268

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Ab initio calculation of the spin-orbit coupling constant from gaussian lobe SCF molecular wavefunctions

By Abegg P.W.   Ha Tae-Kyu  

Molecular Physics, Vol. 27, Iss. 3, 1974-03 ,pp. : 763-767

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