Uncoupled Hartree-Fock calculation of ring currents in substituted benzenes

By Lazzeretti P.   Taddei F.  

Molecular Physics, Vol. 22, Iss. 5, 1971-01 ,pp. : 941-943

Taylor & Francis Ltd

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Parallel implementation of Hartree-Fock and density functional theory analytical second derivatives

By Baker Jon   Wolinski Krzysztof   Malagoli Massimo   Pulay Peter  

Molecular Physics, Vol. 102, Iss. 23-24, 2004-01 ,pp. : 2475-2484

Taylor & Francis Ltd

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Parallelization of analytical Hartree-Fock and density functional theory Hessian calculations. Part I: parallelization of coupled-perturbed Hartree-Fock equations

By Korambath Prakashan P.   Kong Jing   Furlani Thomas R.   Head-Gordon Martin  

Molecular Physics, Vol. 100, Iss. 11, 2002-06 ,pp. : 1755-1761

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Coupled and uncoupled Hartree-Fock calculations of ring currents and proton chemical shifts: the aromatic character of five-membered heterocycles

By Corradi E.   Lazzeretti P.   Taddei F.  

Molecular Physics, Vol. 26, Iss. 1, 1973-07 ,pp. : 41-47

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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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