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

Journal Article · Fri Apr 18 00:00:00 EDT 2014 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/jp501636r· OSTI ID:1384049

Oyeyemi, Victor B. ^[1]; Keith, John A. ^[1]; Carter, Emily A. ^[1]

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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

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001198
• OSTI ID: 1384049
• Journal Information: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 118, 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; ISSN 1089-5639
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

Related Subjects

biofuels (including algae and biomass)
hydrogen and fuel cells
combustion
carbon capture