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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 32, 1976 - Issue 4
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Original Articles

Charge and current densities for approximate molecular wavefunctions

P.W. Atkins Physical Chemistry Laboratory, South Parks Road, Oxford
&
J.A.N.F. Gomes Department of Theoretical Chemistry, South Parks Road, Oxford
Pages 1063-1074 | Received 02 Feb 1976, Published online: 23 Aug 2006

Citations (17)

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Read on this site (2)

J.A.N.F. Gomes. (1982) Topological theory of the electronic currents in benzene. Molecular Physics 47:5, pages 1227-1230.
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J.A.N.F. Gomes. (1980) On the use of the ring current concept. Molecular Physics 40:3, pages 765-769.
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Articles from other publishers (15)

Dage Sundholm, Heike Fliegl & Raphael J.F. Berger. (2016) Calculations of magnetically induced current densities: theory and applications. WIREs Computational Molecular Science 6:6, pages 639-678.
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Timothy K. Dickens, José A. N. F. Gomes & Roger B. Mallion. (2011) Some Comments on Topological Approaches to the π-Electron Currents in Conjugated Systems. Journal of Chemical Theory and Computation 7:11, pages 3661-3674.
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Atsushi Kubo. (2009) Finite-element gauge function optimization for accurate current density calculations. Physical Review A 80:3.
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M. Kumar & R. Gupta. 2008. Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes. Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes 1679 1679 .
M. Kumar & R. Gupta. 2008. Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes. Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes 1678 1678 .
J.A.N.F. Gomes. (1990) The properties of polycyclic hydrocarbons: on the theory of incremental methods. Journal of Molecular Structure: THEOCHEM 210, pages 111-119.
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J. A. N. F. Gomes. 1984. Local Density Approximations in Quantum Chemistry and Solid State Physics. Local Density Approximations in Quantum Chemistry and Solid State Physics 145 153 .
J. A. N. F. Gomes. (1983) Topology of the electronic current density in molecules. Physical Review A 28:2, pages 559-566.
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J.A.N.F. Gomes. (1983) Topological analysis of the current density field in molecules. Journal of Molecular Structure: THEOCHEM 93, pages 111-127.
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J. A. N. F. Gomes. (1983) Topological elements of the magnetically induced orbital current densities. The Journal of Chemical Physics 78:7, pages 4585-4591.
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J. A. N. F. Gomes. (1983) Delocalized magnetic currents in benzene. The Journal of Chemical Physics 78:6, pages 3133-3139.
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J.A.N.F. Gomes. (1983) Topological analysis of the current density field in molecules. Journal of Molecular Structure 93, pages 111-127.
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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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Saul T. Epstein. (1980) Gauge Invariance - A Brief Review. Israel Journal of Chemistry 19:1-4, pages 154-158.
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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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