Investigations of the hydrogen bond in the crystals of tropolone and thiotropolone via car‐parrinello and path integral molecular dynamics
- 期刊名称Journal of Computational Chemistry
- 作者Durlak, Piotr; Latajka, Zdzisław
- 印刷ISSN0192-8651
- 电子ISSN1096-987X
- 文件大小3627.67KB
- 发表时间2018-12-14
- DOI10.1002/jcc.25753