skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: ACCURATE BOND ENERGIES OF BIODIESEL METHYL ESTERS FROM MULTIREFERENCE AVERAGED COUPLED-PAIR FUNCTIONAL CALCULATIONS

Journal Article · · J. Phys. Chem. A
DOI:https://doi.org/10.1021/jp412727w· OSTI ID:1161431

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:
1161431
Journal Information:
J. Phys. Chem. A, Vol. 118; 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
Country of Publication:
United States
Language:
English

Similar Records

Accurate Bond Energies of Biodiesel Methyl Esters from Multireference Averaged Coupled-Pair Functional Calculations
Journal Article · Mon Mar 31 00:00:00 EDT 2014 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1161431

Bond Dissociation Energies of C10 and C18 Methyl Esters from Local Multireference Averaged-Coupled Pair Functional Theory
Journal Article · Mon Mar 16 00:00:00 EDT 2015 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1161431

TRENDS IN BOND DISSOCIATION ENERGIES OF ALCOHOLS AND ALDEHYDES COMPUTED WITH MULTIREFERENCE AVERAGED COUPLED-PAIR FUNCTIONAL THEORY
Journal Article · · J. Phys. Chem. A · OSTI ID:1161431