Accurate pK a calculations for trimethylaminium ion with a variety of basis sets and methods combined with CPCM continuum solvation methods

Computational and Theoretical Chemistry

Volumn 999, Issue , 2012, Pages 1-6

  Abul Kashem Liton, M ^a   Idrish Ali, M ^a   Tanvir Hossain, M ^b  

^a MAWLANA BHASHANI SCIENCE AND TECHNOLOGY UNIVERSITY   (Bangladesh)

^b NOAKHALI SCIENCE AND TECHNOLOGY UNIVERSITY   (Bangladesh)

Author keywords

CPCM; DFT; G2; PK a; Solvation energy

Indexed keywords

EID: 84869093036     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.08.001     Document Type: Article

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