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Title: Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory

Authors:
 [1];  [1];  [1]
  1. Department of Chemical and Biological Engineering, ‡Department of Mechanical and Aerospace Engineering, §Program in Applied and Computational Mathematics, and ∥Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1384049
DOE Contract Number:  
SC0001198
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 118; Journal Issue: 17; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
biofuels (including algae and biomass), hydrogen and fuel cells, combustion, carbon capture

Citation Formats

Oyeyemi, Victor B., Keith, John A., and Carter, Emily A. Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory. United States: N. p., 2014. Web. doi:10.1021/jp501636r.
Oyeyemi, Victor B., Keith, John A., & Carter, Emily A. Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory. United States. doi:10.1021/jp501636r.
Oyeyemi, Victor B., Keith, John A., and Carter, Emily A. Fri . "Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory". United States. doi:10.1021/jp501636r.
@article{osti_1384049,
title = {Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory},
author = {Oyeyemi, Victor B. and Keith, John A. and Carter, Emily A.},
abstractNote = {},
doi = {10.1021/jp501636r},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
issn = {1089-5639},
number = 17,
volume = 118,
place = {United States},
year = {2014},
month = {4}
}