Quantum Chemical Prediction of Redox Reactivity and Degradation Pathways for Aqueous Phase Contaminants: An Example with HMPA-Reference-Cited by-同舟云学术

Quantum Chemical Prediction of Redox Reactivity and Degradation Pathways for Aqueous Phase Contaminants: An Example with HMPA

Published:2010-07-07 Issue:15 Volume:44 Page:5868-5874
ISSN:0013-936X
Container-title:Environmental Science & Technology
language:en
Short-container-title:Environ. Sci. Technol.

Author:

Blotevogel Jens¹,Borch Thomas¹,Desyaterik Yury¹,Mayeno Arthur N.¹,Sale Tom C.¹

Affiliation:

1. Departments of Soil and Crop Sciences, Chemistry, Atmospheric Science, Chemical & Biological Engineering, and Civil & Environmental Engineering, Colorado State University, Fort Collins, Colorado 80523

Publisher

American Chemical Society (ACS)

Subject

Environmental Chemistry,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/es1006675

Reference50 articles.

1. Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances.

2. Predicting physical properties of emerging compounds with limited physical and chemical data: QSAR model uncertainty and applicability to military munitions

3. Gibbs free energy of formation of halogenated aromatic compounds and their potential role as electron acceptors in anaerobic environments

4. Estimation of Gibbs free energies of formation for polychlorinated biphenyls

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