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Volumn 101, Issue 14, 1997, Pages 2662-2665

A new five-site pair potential for formic acid in liquid simulations

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EID: 0001280574     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961891t     Document Type: Article
Times cited : (49)

References (25)
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    • Almenningen, A.; Bastiansen, O.; Motzfeld, T. Acta Chem. Scand. 1969, 23, 2848. Ibid. 1970, 24, 747. Kwei, G.; Curl, R. J. Chem. Phys. 1960, 32, 1592.
    • (1960) J. Chem. Phys. , vol.32 , pp. 1592
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    • Ph.D. Thesis, Hungarian Academy of Sciences, Budapest
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    • (1993)
    • Bakó, I.1
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    • Dore, J. C., Bellissent-Funel, M.-C., Eds.; NATO ASI Series C; Kluwer Academic: Dordrecht
    • Bakó I.; Jedlovszky, P.; Pálinkás, G.; Dore, J. C. In Hydrogen Bond Networks Dore, J. C., Bellissent-Funel, M.-C., Eds.; NATO ASI Series C; Kluwer Academic: Dordrecht, 1994; Vol. 435, pp 119-127.
    • (1994) Hydrogen Bond Networks , vol.435 , pp. 119-127
    • Bakó, I.1    Jedlovszky, P.2    Pálinkás, G.3    Dore, J.C.4
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    • Turi, L.; Dannenberg, J. J. J. Phys. Chem. 1993, 97, 12197. Turi, L.; Dannenberg, J. J. J. Am. Chem. Soc. 1994, 116, 8714.
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    • note
    • The interaction energies under +20 kJ/mol were weighted uniformly. Configurations of lesser stability were weighted by a factor of exp(-(ΔE - 20kJ/mol)/RT).
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    • Baker, J. A.; Watts, R. O. Mol. Phys. 1973, 26, 789-792. Neumann, M. J. Chem. Phys. 1985, 82, 5663.
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    • Baker, J. A.; Watts, R. O. Mol. Phys. 1973, 26, 789-792. Neumann, M. J. Chem. Phys. 1985, 82, 5663.
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    • Neumann, M.1
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    • Swan, G. I. Ph.D. Thesis, University of Kent at Canterbury, 1984. Swan, G. I. In Hydrogen-Bonded Liquids; Vol. 329.), dore, J. C., Teixeira, J., Eds.; NATO ASI Series C. Kluwer Academic: Dordrecht, 1989; Vol. 329, pp 139-146. Swan, G. I.; Dore, J. C.; Bellissent-Funel, M.-C. In Methods in the Determination of Partial Structure Factors; Suck, J. B., Raoux, D., Chieux, P., Riekel, C., Eds.; World Scientific: Singapore, 1993; pp 46-57.
    • (1984)
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    • Vol. 329., dore, J. C., Teixeira, J., Eds.; NATO ASI Series C. Kluwer Academic: Dordrecht
    • Swan, G. I. Ph.D. Thesis, University of Kent at Canterbury, 1984. Swan, G. I. In Hydrogen-Bonded Liquids; Vol. 329.), dore, J. C., Teixeira, J., Eds.; NATO ASI Series C. Kluwer Academic: Dordrecht, 1989; Vol. 329, pp 139-146. Swan, G. I.; Dore, J. C.; Bellissent-Funel, M.-C. In Methods in the Determination of Partial Structure Factors; Suck, J. B., Raoux, D., Chieux, P., Riekel, C., Eds.; World Scientific: Singapore, 1993; pp 46-57.
    • (1989) Hydrogen-Bonded Liquids , vol.329 , pp. 139-146
    • Swan, G.I.1
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    • Suck, J. B., Raoux, D., Chieux, P., Riekel, C., Eds.; World Scientific: Singapore
    • Swan, G. I. Ph.D. Thesis, University of Kent at Canterbury, 1984. Swan, G. I. In Hydrogen-Bonded Liquids; Vol. 329.), dore, J. C., Teixeira, J., Eds.; NATO ASI Series C. Kluwer Academic: Dordrecht, 1989; Vol. 329, pp 139-146. Swan, G. I.; Dore, J. C.; Bellissent-Funel, M.-C. In Methods in the Determination of Partial Structure Factors; Suck, J. B., Raoux, D., Chieux, P., Riekel, C., Eds.; World Scientific: Singapore, 1993; pp 46-57.
    • (1993) Methods in the Determination of Partial Structure Factors , pp. 46-57
    • Swan, G.I.1    Dore, J.C.2    Bellissent-Funel, M.-C.3


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