Ab initio calculations on pKa values of benzo-quinuclidine series in aqueous solvent

Chemical Physics Letters

Volumn 436, Issue 1-3, 2007, Pages 276-279

  Yu, Ao ^a   Liu, Yuanhai ^a   Wang, Yongjian ^b  

^a NANKAI UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

IONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

AMMONIUM IONS; BENZO-QUINUCLIDINE SERIES; CONDUCTOR-LIKE POLARIZABLE CONTINUUM MODEL (CPCM);

ORGANIC SOLVENTS;

EID: 33846809044     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.029     Document Type: Article

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