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

The role of electrostatics in molecular interactions: prediction of shapes and electronic properties of weakly bound complexes

Peter L. Cummins Department of Theoretical Chemistry, The University of Sydney, N.S.W., 2006, Australia
,
Alistair P. L. Rendell Department of Theoretical Chemistry, The University of Sydney, N.S.W., 2006, Australia
,
David J. Swanton Department of Theoretical Chemistry, The University of Sydney, N.S.W., 2006, Australia
,
George B. Bacskay Department of Theoretical Chemistry, The University of Sydney, N.S.W., 2006, Australia
&
Noel S. Hush Department of Theoretical Chemistry, The University of Sydney, N.S.W., 2006, Australia
Pages 139-146 | Published online: 11 Aug 2008

Citations (16)

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Read on this site (1)

PeterL. Cummins, GeorgeB. Backsay & NoelS. Hush. (1987) The effect of intermolecular interactions on the electric field gradients in solid ammonia, tetrazole and imidazole. Molecular Physics 62:1, pages 193-213.
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Articles from other publishers (15)

Maxim Tafipolsky. (2016) Challenging Dogmas: Hydrogen Bond Revisited. The Journal of Physical Chemistry A 120:26, pages 4550-4559.
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C.E Dykstra & J.M Lisy. (2000) Experimental and theoretical challenges in the chemistry of noncovalent intermolecular interaction and clustering. Journal of Molecular Structure: THEOCHEM 500:1-3, pages 375-390.
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Peter L. Cummins & Jill E. Gready. (1999) Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules. Journal of Computational Chemistry 20:10, pages 1028-1038.
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Peter L. Cummins & Jill E. Gready. (1997) Coupled semiempirical molecular orbital and molecular mechanics model (QM/MM) for organic molecules in aqueous solution. Journal of Computational Chemistry 18:12, pages 1496-1512.
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Karl Jug & Zvonimir B. Maksić. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 235 288 .
Peter L. Cummins & Jill E. Gready. (1990) Atomic charges derived from semiempirical electrostatic potentials; an interaction energy method. Chemical Physics Letters 174:3-4, pages 355-360.
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Miquel Solà, Agustí Lledós, Miquel Duran, Juan Bertrán & Oscar N. Ventura. (2004) Ab initio study of substituent effect on the addition of hydrogen fluoride to fluoroethylenes . Journal of Computational Chemistry 11:2, pages 170-180.
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Z. Latajka, H. Ratajczak & W.B. Person. (1989) On the reliability of SCF ab initio calculations of vibrational frequencies and intensities of hydrogen-bonded systems. Journal of Molecular Structure 194, pages 89-105.
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Clifford E. Dykstra. (2004) Efficient calculation of electrically based intermolecular potentials of weakly bonded clusters. Journal of Computational Chemistry 9:5, pages 476-487.
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Kirk D. Kolenbrander, Clifford E. Dykstra & James M. Lisy. (1988) Torsional vibrational modes of (HF)3: IR–IR double resonance spectroscopy and electrical interaction theory. The Journal of Chemical Physics 88:10, pages 5995-6012.
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George B. Bacskay & Jill E. Gready. (1988) Prediction and experimental comparison of deuterium quadrupole coupling constants in some bifluoride salts: An extreme example of symmetric hydrogen bonding in different crystalline environments. The Journal of Chemical Physics 88:4, pages 2526-2539.
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Alistair P. L. Rendell, George B. Bacskay & Noel S. Hush. (1987) An a b   i n i t i o quantum chemical study of the hydrogen- and ‘‘anti’’-hydrogen-bonded HF/ClF and HF/Cl2 dimers . The Journal of Chemical Physics 87:1, pages 535-544.
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Shi-yi Liu & Clifford E. Dykstra. (1987) Electrically caused vibrational frequency shifts and dipole moments in rare gas hydrogen bonded complexes. Chemical Physics Letters 136:1, pages 22-25.
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W. A. Sokalski, P. C. Hariharan & Joyce J. Kaufman. (1987) Library of cumulative atomic multipole moments. I. Nucleic acid bases. International Journal of Quantum Chemistry 32:S14, pages 111-126.
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S. L. Price & A. J. Stone. (1987) The electrostatic interactions in van der Waals complexes involving aromatic molecules. The Journal of Chemical Physics 86:5, pages 2859-2868.
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