An ab initio coupled Hartree-Fock calculation of the nuclear shielding in the H 2 /He interacting system

By Riley J.P.   Hillier I.H.   Raynes W.T.  

Molecular Physics, Vol. 38, Iss. 2, 1979-08 ,pp. : 353-365

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Ab initio projected-unrestricted Hartree-Fock calculations

By Lengsfield Byron   Schug John  

Molecular Physics, Vol. 35, Iss. 4, 1978-04 ,pp. : 1113-1123

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Ab initio calculation of force constants for the linear molecules HCN, FCN, (CN) 2 and the ion N 2 F +

By Pulay Peter   Ruoff Andreas   Sawodny Wolfgang  

Molecular Physics, Vol. 30, Iss. 4, 1975-10 ,pp. : 1123-1131

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Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree–Fock calculations

By Yakuphanoglu F.   Atalay Y.   Erol I.  

Molecular Physics, Vol. 103, Iss. 24, 2005-12 ,pp. : 3309-3314

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Development of an improved Stillinger-Weber potential for tetrahedral carbon using ab initio (Hartree-Fock and MP2) methods

By Barnard A. S.   Russo S. P.  

Molecular Physics, Vol. 100, Iss. 10, 2002-05 ,pp. : 1517-1525

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