Computational Tests of Models for Kinetic Parameters of Unimolecular Reactions of Organophosphorus and Organosulfur Compounds-Reference-Cited by-同舟云学术

Computational Tests of Models for Kinetic Parameters of Unimolecular Reactions of Organophosphorus and Organosulfur Compounds

Published:2011-11-21 Issue:49 Volume:115 Page:14143-14152
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hahn David K.¹,RaghuVeer Krishans S.¹,Ortiz J. V.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849-5312, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp206344r

Reference37 articles.

1. Gas-Phase Pyrolysis of Diisopropyl Methylphosphonate

2. MacNaughton, M. G.; Piccini, P. R.; Shannon, K. L.; Carpenter, M. A.; Crumlett, S.; Bohmann, J. A.Experimental Determination of Thermal Neutralization Parameters for Chemical Agents, Final Report—Thermal Decomposition of CWA; SwRI Project 13161;Southwest Research Institute:San Antonio, TX, 2010.

3. Computational Tests of Quantum Chemical Models for Structures, Vibrational Frequencies, and Heats of Formation of Molecules with Phosphorus and Sulfur Atoms

4. Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation Energies and Other Thermodynamic and Structural Properties from Quantum Chemical Models

5. Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops

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