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International Reviews in Physical Chemistry Volume 5, 1986 - Issue 2-3
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Original Articles

Point charges and the molecular electrostatic potential

G. G. Hall Division of Molecular Engineering, Kyoto University, Kyoto, 606, Japan
Pages 115-120 | Published online: 11 Aug 2008

Citations (20)

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G.G. Hall . (1988) Critical points in the potential of a set of point charges. International Journal of Mathematical Education in Science and Technology 19:6, pages 857-860.
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Articles from other publishers (19)

Songül Şahin. (2022) A single-molecule with multiple investigations: Synthesis, characterization, computational methods, inhibitory activity against Alzheimer's disease, toxicity, and ADME studies. Computers in Biology and Medicine 146, pages 105514.
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Johnross V. Albuquerque & Rajendra N. Shirsat. (2020) Prelude to Molecular Dynamics‐II: Investigation of Potential Energy Surfaces Using Gaussian Charge Models. ChemistrySelect 5:35, pages 11052-11062.
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Andreas Krämer, Frank C. PickardIVIV, Jing Huang, Richard M. Venable, Andrew C. Simmonett, Dirk Reith, Karl N. Kirschner, Richard W. Pastor & Bernard R. Brooks. (2019) Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects. Journal of Chemical Theory and Computation 15:6, pages 3854-3867.
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Johnross Virgil Albuquerque & Rajendra Nivrutti Shirsat. (2019) Prelude to molecular dynamics: Topography-driven gaussian charge models. International Journal of Quantum Chemistry 119:6, pages e25835.
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Domingo Cruz-Olvera, Gerald Geudtner & Patrizia Calaminici. (2016) Molecular graphs of $$\hbox {Mo}_{2n}\hbox {C}_n$$ Mo 2 n C n (n = 1–10) clusters. Theoretical Chemistry Accounts 135:11.
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Gerald Geudtner, Victor Daniel Domínguez-Soria, Patrizia Calaminici & Andreas M. Köster. (2015) Molecular graphs of , and (n= 6–9) clusters from the density and the molecular electrostatic potential . Computational and Theoretical Chemistry 1053, pages 337-342.
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Patrizia Calaminici, Victor Daniel Domínguez-Soria & Andreas M. Köster. (2012) Comparison of molecular graphs of Li n , Na n and Cu n ( n = 2-5) clusters obtained from the density and the molecular electrostatic potential . International Journal of Quantum Chemistry 112:22, pages 3624-3629.
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Karl Jug, Bernd Zimmermann & Andreas M. Köster. (2002) Growth pattern and bonding of copper clusters. International Journal of Quantum Chemistry 90:2, pages 594-602.
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Ana Martı́nez, Patrizia Calaminici, Andreas M. Köster & Dennis R. Salahub. (2001) Bonding in Nb3O, Nb3S and Nb3Se: A topological analysis of the electrostatic potential. The Journal of Chemical Physics 114:2, pages 819-825.
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Martin Leboeuf, Andreas M. Köster, Karl Jug & Dennis R. Salahub. (1999) Topological analysis of the molecular electrostatic potential. The Journal of Chemical Physics 111:11, pages 4893-4905.
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Andreas M. Köster, Martin Leboeuf & Dennis R. Salahub. 1996. Molecular Electrostatic Potentials - Concepts and Applications. Molecular Electrostatic Potentials - Concepts and Applications 105 142 .
Karl Jug & Christian Kölle. (1994) Topography of approximate molecular electrostatic potentials. Proceedings / Indian Academy of Sciences 106:2, pages 283-302.
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Indira H. Shrivastava & Shridhar R. Gadre. (2004) Molecular electrostatic charge models: A topographical approach. International Journal of Quantum Chemistry 49:4, pages 397-407.
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Shridhar R. Gadre, Sudhir A. Kulkarni & Indira H. Shrivastava. (1992) Molecular electrostatic potentials: A topographical study. The Journal of Chemical Physics 96:7, pages 5253-5260.
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A. J. Stone. 1991. Hydrogen-Bonded Liquids. Hydrogen-Bonded Liquids 25 47 .
Jacopo Tomasi, Rosanna Bonaccorsi & Roberto Cammi. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 229 268 .
George G. Hall & Colin M. Smith. (1988) Electric fields around molecules. Journal of Molecular Structure: THEOCHEM 179:1, pages 293-303.
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James R. Rabinowitz & Stephen B. Little. (1988) Development of a model that contains both multipole moments and gaussians for the calculation of molecular electrostatic potentials. International Journal of Quantum Chemistry 34:S22, pages 721-733.
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K. Tsujinaga & G. G. Hall. (1986) The currant bun model of simple molecules. Theoretica Chimica Acta 70:4, pages 257-264.
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