A Coupled-Cluster Study of the Enthalpy of Formation of Nitrogen Sulfide, NS

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Article on a coupled-cluster study of the enthalpy of formation of nitrogen sulfide, NS.

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5 p.

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Peebles, Lynda R. & Marshall, Paul December 20, 2002.

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Article on a coupled-cluster study of the enthalpy of formation of nitrogen sulfide, NS.

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5 p.

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Abstract: The energy of NS was computed via CCSD(T) theory, together with extrapolation to the complete basis set limit and corrections for anharmonic zero-point energy, scalar and vector relativistic terms, and core-valence electron correlation. The results were employed with three working reactions to find ∆fH0 (NS) = 277.3 ± 2 kJ mol -1 and ∆fH298 (NS) = 278.0 ± 2 kJ mol -1. This thermochemistry is consistent with, but much more precise than, earlier literature values.

Copyright © 2002 Elsevier Science Ltd., all rights reserved.

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  • Chemical Physics Letters, 2002, Amsterdam: Elsevier Science Ltd., pp. 520-524

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Publication Information

  • Publication Title: Chemical Physics Letters
  • Volume: 366
  • Issue: 5-6
  • Page Start: 520
  • Page End: 524
  • Pages: 5
  • Peer Reviewed: Yes

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Submitted Date

  • May 19, 2002

Accepted Date

  • September 17, 2002

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  • December 20, 2002

Added to The UNT Digital Library

  • March 17, 2015, 10:38 a.m.

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  • May 1, 2015, 4:46 p.m.

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Peebles, Lynda R. & Marshall, Paul. A Coupled-Cluster Study of the Enthalpy of Formation of Nitrogen Sulfide, NS, article, December 20, 2002; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc501383/: accessed December 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.