Bulk Properties of Liquids and Molecular Properties in Liquids from a Combination of Quantum Chemical Calculations and Classical Simulations

Authors

  • Hanspeter Huber
  • Elena Ermakova
  • Jan Solca
  • Gerold Steinebrunner

DOI:

https://doi.org/10.2533/chimia.1995.504

Abstract

In the first Column of this series we presented an introduction to the title subject including a historical background and some educational aspects. Here, we show how to calculate bulk properties of liquids without claiming to be comprehensive. The next Column will end the cycle with an introduction to the calculation of solvent effects on nuclear and molecular properties.

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Published

1995-12-20

Issue

Vol. 49 No. 12 (1995): History/Forschung/Research

Section

Columns, Conference Reports

License

Copyright (c) 1995 Swiss Chemical Society

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.

How to Cite

[1]
H. Huber, E. Ermakova, J. Solca, G. Steinebrunner, Chimia 1995, 49, 504, DOI: 10.2533/chimia.1995.504.