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What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?
This article maps the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.
Date:
February 8, 2013
Creator:
Martin, Jan M. L.
Object Type:
Article
System:
The UNT Digital Library
Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure
Article on an experimental and kinetic modeling study of methanol ignition and oxidation at high pressure.
Date:
May 1, 2013
Creator:
Aranda, V.; Christensen, J. M.; Alzueta, María U.; Glarborg, Peter; Gersen, S.; Gao, Yide et al.
Object Type:
Article
System:
The UNT Digital Library
Halogen Bonds: Benchmarks and Theoretical Analysis
This article describes an extensive survey of wave function and DFT methods to test their accuracy on geometries and dissociation energies of halogen bonds.
Date:
March 1, 2013
Creator:
Kozuch, Sebastian & Martin, Jan M. L.
Object Type:
Article
System:
The UNT Digital Library
Fluorinated Metal-Organic Frameworks for Gas Storage
Patent relating to fluorinated metal-organic frameworks for gas storage.
Date:
September 12, 2008
Creator:
Omary, Mohammad A. & Yang, Chi
Object Type:
Patent
System:
The UNT Digital Library
Fluorinated Metal-Organic Frameworks for Gas Storage
Patent relating to fluorinated metal-organic frameworks for gas storage.
Date:
September 12, 2008
Creator:
Omary, Mohammad A. & Yang, Chi
Object Type:
Patent
System:
The UNT Digital Library
Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"
This article is a response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients," published in New Journal of Chemistry, 2013.
Date:
February 1, 2013
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library