Potential energy and free energy surfaces of the formic acid dimer: Correlated ab initio calculations and molecular dynamics simulationsElectronic supplementary information (ESI) available: Optimised geometries of the structures in Tables 1 and 2. See http://www.rsc.org/suppdata/cp/b1/b110872g/
- 期刊名称Physical Chemistry Chemical Physics
- 作者Chocholoušová, Jana; Vacek, Jaroslav; Hobza, Pavel
- 卷第4卷
- 期第11期
- 印刷ISSN1463-9076
- 电子ISSN1463-9084
- 文件大小141.75KB
- 发表时间2002-5-20
- DOI10.1039/B110872G
- 页码2119-2122
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