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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 28, 1974 - Issue 6
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Original Articles

Uncoupled Hartree-Fock perturbation theory for the density matrix: the second-order properties of conjugated molecules

P. Lazzeretti Istituto di Chimica Organica, Universitá, Via Campi 183, 41100, Modena, Italy
Pages 1389-1395 | Received 22 Feb 1974, Published online: 22 Aug 2006

Citations (18)

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H.W. Vos, C. MacLean & N.H. Velthorst. (1978) Semi-empirical calculations of chemical shifts in partially paratropic anions. Molecular Physics 35:2, pages 329-347.
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Articles from other publishers (17)

J. A. N. F. Gomes & R. B. Mallion. (2001) Aromaticity and Ring Currents. Chemical Reviews 101:5, pages 1349-1384.
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S. G. Baram, O. P. Shkurko & V. P. Mamaev. (1983) Determination of reactivity constants of p-substituted 2- and 5-pyrimidyl groups by means of13C NMR. Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 32:2, pages 265-270.
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Yu. B. Malykhanov. (1983) Different versions of perturbation theory for many-electron systems, based on hartree-fock functions. Journal of Structural Chemistry 23:5, pages 769-794.
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O. P. Shkurko, S. G. Baram & V. P. Mamaev. (1983) Quantitative determination of the electronic effects of pyridyl groups. Chemistry of Heterocyclic Compounds 19:1, pages 60-65.
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O. P. Shkurko, L. L. Gogin & V. P. Mamaev. (1982) Effect of substituents on the chemical shift of the ring protons in the PMR spectra of monosubstituted sym-triazines. Chemistry of Heterocyclic Compounds 18:3, pages 310-313.
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P. Lazzeretti & R. Zanasi. (1981) Theory of nuclear electric shielding in molecules. Physical Review A 24:4, pages 1696-1704.
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R. B. Mallion. (1981) A retrospective appraisal of the Pople point-dipole model of ‘‘ring-current’’ effects on 1H-NMR chemical shifts in planar, condensed, benzenoid hydrocarbons. The Journal of Chemical Physics 75:2, pages 793-797.
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Paolo Lazzeretti. (1979) Calculation of nuclear spin–spin coupling constants in methanol molecule. The Journal of Chemical Physics 71:6, pages 2514-2521.
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Paolo Lazzeretti & Riccardo Zanasi. (2004) On the use of symmetry in first‐order perturbed HF theory. II . International Journal of Quantum Chemistry 15:6, pages 645-653.
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P. Lazzeretti. (2004) Geometric approximation to nuclear spin–spin coupling constants in the water molecule. International Journal of Quantum Chemistry 15:2, pages 181-196.
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C.W. Haigh & R.B. Mallion. (1979) Ring current theories in nuclear magnetic resonance. Progress in Nuclear Magnetic Resonance Spectroscopy 13:4, pages 303-344.
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Andrzej J. Sadlej. (1978) Comments on the geometric approximation to the second-order perturbed energies. Chemical Physics Letters 58:4, pages 561-564.
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Yu. B. Malykhanov. (1978) Calculation of the tensor components of the molecular dipole polarizability of conjugated hydrocarbons. Theoretical and Experimental Chemistry 13:4, pages 347-352.
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Fred Mulder, Marc Hemert, Paul E. S. Wormer & Ad Avoird. (1977) Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion. Theoretica Chimica Acta 46:1, pages 39-62.
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Paolo Lazzeretti, Riccardo Zanasi & Beniamino Cadioli. (1977) Calculations of magnetic susceptibility of polyatomic molecules. The Journal of Chemical Physics 67:2, pages 382-388.
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Fred Mulder, Marc Hemert, Paul E. S. Wormer & Ad Avoird. (1977) Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion. Theoretica Chimica Acta 46:1, pages 39-62.
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Paolo Lazzeretti, Beniamino Cadioli & Ugo Pincelli. (2004) Calculations of electric dipole polarizabilities of polyatomic molecules. International Journal of Quantum Chemistry 10:5, pages 771-780.
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