A Density Functional Theory- and Atoms in Molecules-based Study of NiNTA and NiNTPA Complexes toward Physical Properties Controlling their Stability. A New Method of Computing a Formation Constant-Reference-Cited by-同舟云学术

A Density Functional Theory- and Atoms in Molecules-based Study of NiNTA and NiNTPA Complexes toward Physical Properties Controlling their Stability. A New Method of Computing a Formation Constant

Published:2010-07-06 Issue:15 Volume:49 Page:6931-6941
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Cukrowski Ignacy¹,Govender Krishna K.¹

Affiliation:

1. Department of Chemistry, Faculty of Natural Sciences, University of Pretoria, Lynnwood Road, Hillcrest, Pretoria 0002, South Africa

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic100453v

Reference69 articles.

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3. The IUPAC Stability Constants Database;Academic Software:Yorks, UK;http://www.acadsoft.co.uk/scdbase/)

4. Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods

5. Absolute pKa Determinations for Substituted Phenols

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