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Title: Quantum chemical and master equation study of OH + CH 2 O → H 2 O + CHO reaction rates in supercritical CO 2 environment

Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3]
  1. NanoScienece Technology Center, University of Central Florida, Orlando Florida, Department of Chemistry, University of Central Florida, Orlando Florida
  2. NanoScienece Technology Center, University of Central Florida, Orlando Florida, Department of Chemistry, University of Central Florida, Orlando Florida, School of Modeling, Simulation, and Training, University of Central Florida, Orlando Florida, South Ural State University, Chelyabinsk Russia, National Research Nuclear University MEPhI, Moscow Russia
  3. Center for Advanced Turbomachinery and Energy Research (CATER), Mechanical and Aerospace Engineering, University of Central Florida, Orlando Florida
Publication Date:
Grant/Contract Number:
FE0025260
Type:
Publisher's Accepted Manuscript
Journal Name:
International Journal of Chemical Kinetics
Additional Journal Information:
Journal Name: International Journal of Chemical Kinetics Journal Volume: 51 Journal Issue: 1; Journal ID: ISSN 0538-8066
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1482292

Wait, Elizabeth E., Masunov, Artëm E., and Vasu, Subith S.. Quantum chemical and master equation study of OH + CH 2 O → H 2 O + CHO reaction rates in supercritical CO 2 environment. United States: N. p., Web. doi:10.1002/kin.21228.
Wait, Elizabeth E., Masunov, Artëm E., & Vasu, Subith S.. Quantum chemical and master equation study of OH + CH 2 O → H 2 O + CHO reaction rates in supercritical CO 2 environment. United States. doi:10.1002/kin.21228.
Wait, Elizabeth E., Masunov, Artëm E., and Vasu, Subith S.. 2018. "Quantum chemical and master equation study of OH + CH 2 O → H 2 O + CHO reaction rates in supercritical CO 2 environment". United States. doi:10.1002/kin.21228.
@article{osti_1482292,
title = {Quantum chemical and master equation study of OH + CH 2 O → H 2 O + CHO reaction rates in supercritical CO 2 environment},
author = {Wait, Elizabeth E. and Masunov, Artëm E. and Vasu, Subith S.},
abstractNote = {},
doi = {10.1002/kin.21228},
journal = {International Journal of Chemical Kinetics},
number = 1,
volume = 51,
place = {United States},
year = {2018},
month = {11}
}

Works referenced in this record:

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11�18
journal, May 1980
  • McLean, A. D.; Chandler, G. S.
  • The Journal of Chemical Physics, Vol. 72, Issue 10, p. 5639-5648
  • DOI: 10.1063/1.438980