First Principle Theory for p
K
a
Prediction at Molecular Level: pH Effects Based on Explicit Solvent Model
Kido, Kentaro; Sato, Hirofumi; Sakaki, Shigeyoshi
- 期刊名称The Journal of Physical Chemistry B
- 作者Kido, Kentaro; Sato, Hirofumi; Sakaki, Shigeyoshi
- 卷第113卷
- 期第30期
- 印刷ISSN1520-6106
- 电子ISSN1520-5207
- 文件大小362.98KB
- 发表时间2009-07-30
- DOI10.1021/jp903610p
- 页码10509-10514