Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35 Cl - 2

By Karna S.P.   Grein Friedrich   Engels B.   Peyerimhoff S.D.  

Molecular Physics, Vol. 69, Iss. 3, 1990-02 ,pp. : 549-557

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Ab-initio total energy study of uncharged 2:1 clays and their interaction with water

By Bridgeman C. H.   Buckingham A. D.   Skipper N. T.   Payne M. C.  

Molecular Physics, Vol. 89, Iss. 3, 1996-10 ,pp. : 879-888

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Ab initio calculation of the ground state and the first excited state system of Br including spin-orbit coupling and relativistic correction to the kinetic energy operator

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Molecular Physics, Vol. 52, Iss. 5, 1984-08 ,pp. : 1177-1190

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An ab initio study of the conformational energy map of acetylcholine

By Segall M. D.   Payne M. C.   Boyes R. N.  

Molecular Physics, Vol. 93, Iss. 3, 1998-02 ,pp. : 365-370

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Refined ab initio intermolecular ground-state potential energy surface for the He–C₂H₂ van der Waals complex

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Molecular Physics, Vol. 111, Iss. 9-11, 2013-07 ,pp. : 1173-1177

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