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  Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations : covalent dimerization of NO2 and synthesis of NH3

Awasthi, N., Ritschel, T., Lipowsky, R., & Knecht, V. (2013). Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: covalent dimerization of NO2 and synthesis of NH3. The Journal of Chemical Thermodynamics, 62, 211-221. doi:10.1016/j.jct.2013.03.011.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0015-3FF2-7 Version Permalink: https://hdl.handle.net/21.11116/0000-0007-B91E-8
Genre: Journal Article

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1922834.pdf (Publisher version), 769KB
 
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 Creators:
Awasthi, N.1, Author           
Ritschel, T., Author
Lipowsky, Reinhard2, Author           
Knecht, V.3, Author           
Affiliations:
1Mark Santer, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863326              
2Reinhard Lipowsky, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863327              
3Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863289              

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Free keywords: Equilibrium constants; Thermochemical properties; Ab-initio calculations
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Language(s): eng - English
 Dates: 2013
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 670091
ISI: 000318612000026
DOI: 10.1016/j.jct.2013.03.011
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Title: The Journal of Chemical Thermodynamics
Source Genre: Journal
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Publ. Info: Oxford : Academic Press
Pages: - Volume / Issue: 62 Sequence Number: - Start / End Page: 211 - 221 Identifier: ISSN: 0021-9614