Coupled Cluster Theory Determination of the Heats of Formation of Combustion-Related Compounds: CO, HCO, CO2, HCO2, HOCO, HC(O)OH, and HC(O)OOH-Reference-Cited by-同舟云学术

Coupled Cluster Theory Determination of the Heats of Formation of Combustion-Related Compounds: CO, HCO, CO2, HCO2, HOCO, HC(O)OH, and HC(O)OOH

Published:2003-02-12 Issue:10 Volume:107 Page:1604-1617
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Feller David¹,Dixon David A.¹,Francisco Joseph S.²

Affiliation:

1. Chemical Sciences Division and Fundamental Sciences Division, Pacific Northwest National Laboratory, MS K8-91, P.O. Box 999, Richland, Washington 99352

2. Department of Chemistry, H. C. Brown Laboratory, Purdue University, West Lafayette, Indiana 47907-1393

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp021569k

Reference141 articles.

1. An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set

2. Heats of Formation of CF2, FCO, and CF2O

3. Re-examination of atomization energies for the Gaussian-2 set of molecules

4. A photoionization study of the COOH species

5. Photoionization of HOCO revisited: a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation

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