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Original Articles

Atom–atom potentials from ab initio calculations

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Pages 193-222 | Received 12 Sep 2006, Accepted 19 Oct 2006, Published online: 14 Feb 2007

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Fazle Rob & Krzysztof Szalewicz. (2013) Distributed molecular polarisabilities and asymptotic intermolecular interaction energies† . Molecular Physics 111:9-11, pages 1430-1455.
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Graeme M. Day. (2011) Current approaches to predicting molecular organic crystal structures. Crystallography Reviews 17:1, pages 3-52.
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Lyudmila V. Slipchenko & Mark S. Gordon. (2009) Damping functions in the effective fragment potential method. Molecular Physics 107:8-12, pages 999-1016.
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S. L. Price. (2008) Computational prediction of organic crystal structures and polymorphism. International Reviews in Physical Chemistry 27:3, pages 541-568.
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Alston J. Misquitta & Anthony J. Stone. (2008) Dispersion energies for small organic molecules: first row atoms. Molecular Physics 106:12-13, pages 1631-1643.
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Richard J. Wheatley & Timothy C. Lillestolen. (2008) Local polarizabilities and dispersion energy coefficients. Molecular Physics 106:12-13, pages 1545-1556.
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