Hydrogen Abstraction Acetylene Addition and Diels−Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations-Reference-Cited by-同舟云学术

Hydrogen Abstraction Acetylene Addition and Diels−Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations

Published:2005-06-21 Issue:5 Volume:1 Page:908-924
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kislov V. V.¹,Islamova N. I.¹,Kolker A. M.¹,Lin S. H.¹,Mebel A. M.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Florida International University, Miami, Florida 33199, Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 10764, Taiwan, and Institute of Solution Chemistry of Russian Academy of Sciences, Akademicheskaya St. 1, Ivanovo 153045, Russia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct0500491

Reference81 articles.

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3. Environment and Cancer: Who Are Susceptible?

4. Size Distributions of Polycyclic Aromatic Hydrocarbons and Elemental Carbon. 2. Ambient Measurements and Effects of Atmospheric Processes

5. Measurement of Polycyclic Aromatic Hydrocarbons Associated with Size-Segregated Atmospheric Aerosols in Massachusetts

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