| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5413170 | Journal of Molecular Liquids | 2009 | 4 Pages |
Abstract
An integral equation theory for molecular liquids, reference interaction site model (RISM), was applied to understand the liquid structure of nitromethane, which is extensively used as a solvent. In the theory, liquid structure is described by a set of pair correlation functions. With the aid of ab initio molecular orbital calculations, representative peaks were able to be related to specific configurations of molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Seigo Hayaki, Hirofumi Sato, Shigeyoshi Sakaki,