Bioaccumulative chemicals are either too hard or too soft: Conceptual density functional theory as a screening tool for emerging pollutants-Reference-Cited by-同舟云学术

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Bioaccumulative chemicals are either too hard or too soft: Conceptual density functional theory as a screening tool for emerging pollutants

Published:2024-01 Issue: Volume:183 Page:108388
ISSN:0160-4120
Container-title:Environment International
language:en
Short-container-title:Environment International

Author:

Li Xiaolei,Anderson James S.M.,Jobst Karl J.

Funder

Natural Sciences and Engineering Research Council of Canada

Universidad Nacional Autónoma de México

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Publisher

Elsevier BV

Subject

General Environmental Science

Reference74 articles.

1. POPs and Chemicals of Emerging Arctic Concern: Influence of Climate Change;AMAP Assessment,2020

2. Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator;Anderson;J. Chem. Theory Comput.,2007

3. Torsional Barrier, Ionization Potential, and Electron Affinity of Biphenyl—A Theoretical Study;Arulmozhiraja;J. Chem. Phys.,2001

4. The Physical Basis of the Hard/Soft Acid/Base Principle;Ayers;Faraday Discuss.,2007

5. Perspective on “Density Functional Approach to the Frontier-Electron Theory of Chemical Reactivity”;Ayers;Theor. Chem. Acc.,2000

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