Application of Kihara parameters in conventional molecular force fields

DOI10.1007/s10910-010-9676-4zbMath1220.92069OpenAlexW2081778588MaRDI QIDQ1959309

Teik-Cheng Lim

Publication date: 6 October 2010

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-010-9676-4

zbMATH Keywords

Lennard-JonesKihara

Mathematics Subject Classification ID

Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• GROMOS

Cites Work

• Alternative scaling factor between Lennard-Jones and Exponential-6 potential energy functions
• Virial Coefficients and Models of Molecules in Gases

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