Performance of First-Principles-Based Reaction Class Transition State Theory-Reference-Cited by-同舟云学术

Performance of First-Principles-Based Reaction Class Transition State Theory

Published:2016-01-25 Issue:8 Volume:120 Page:1871-1884
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Ratkiewicz Artur¹,Huynh Lam K.²³,Truong Thanh N.⁴

Affiliation:

1. Chemistry Institute, University of Bialystok, Ciolkowskiego 1K 15-245 Bialystok, Poland

2. Institute for Computational Science and Technology at Ho Chi Minh City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City, Vietnam

3. International University, VNU-HCMC, Thu Duc District, Ho Chi Minh City, Vietnam

4. Henry Eyring Center for Theoretical Chemistry, Department of Chemistry, University of Utah, 315 South 1400 East, Room 2020, Salt Lake City, Utah 84112, United States

Funder

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b09564

Reference96 articles.

1. Accurate Bond Energies of Biodiesel Methyl Esters from Multireference Averaged Coupled-Pair Functional Calculations

2. An overview of biodiesel oxidation stability

3. Kinetics of the Hydrogen Abstraction OH + Alkane → H2O + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory

4. Experimental and Modeling Study of the Low-Temperature Oxidation of Large Alkanes

5. Construction and simplification of a model for the oxidation of alkanes

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