作者: R. M. Lynden-Bell,
期刊: AIP Conference Proceedings (AIP Available online 1999) 卷期: Volume 492, issue 1
页码: 3-16
ISSN:0094-243X
年代: 1999
DOI:10.1063/1.1301520
出版商: AIP
数据来源: AIP
摘要:
In real solutions the solvent is made up of molecules but for many purposes it can be described as a continuous medium with a dielectric constant. This allows one to make corrections for the finite size of an atomistic simulation (long range corrections). On the other hand results from simulations show that the local structure is not uniform and that the entropy of solvation is dominated by short range effects which are molecular in origin. ©2000 American Institute of Physics.
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