Ab initio projected-unrestricted Hartree-Fock calculations

By Lengsfield Byron   Schug John  

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

Taylor & Francis Ltd

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Uncoupled Hartree-Fock calculations of the 13 C shielding by means of ab initio and NEMO-wavefunctions

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Molecular Physics, Vol. 26, Iss. 2, 1973-08 ,pp. : 343-347

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Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role of d -orbitals in the &pgr;-electron treatment

By Nanda D.N.   Narasimhan P.T.  

Molecular Physics, Vol. 24, Iss. 6, 1972-12 ,pp. : 1341-1352

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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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Infrared spectra of thiouracils: experimental matrix isolation and ab initio Hartree-Fock, post-Hartree-Fock and density functional theory studies

By Lapinski L.   Rostkowska H.   Nowak M.J.   Kwiatkowski J.S.   Leszczynski J.  

Vibrational Spectroscopy, Vol. 13, Iss. 1, 1996-12 ,pp. : 23-40

Elsevier

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