Quantum Chemical Approach for Calculating Stability Constants of Mercury Complexes
نویسندگان
چکیده
منابع مشابه
A combined quantum-classical dynamics method for calculating thermal rate constants of chemical reactions in solution
We present a combined quantum-classical-stochastic dynamics method based on the flux-flux correlation function for calculating the thermal rate constants of chemical reactions in solution or in biological systems. The present method is an extension of an earlier method by Metiu and co-workers [J. Chem. Phys. 88, 2478 ( 1988) ] to include stochastic dynamics. The method is tested by applying it ...
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ژورنال
عنوان ژورنال: ACS Earth and Space Chemistry
سال: 2018
ISSN: 2472-3452,2472-3452
DOI: 10.1021/acsearthspacechem.8b00102