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Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds
This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Date:
August 7, 1997
Creator:
Cundari, Thomas R., 1964- & Raby, Philip D.
System:
The UNT Digital Library
Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study
This article uses plane-wave density functional theory calculations to investigate the direct amination of benzene catalyzed by a Ni(111) surface to explore the reaction intermediates and to understand the role of nickel in this reaction.
Date:
March 24, 2017
Creator:
Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
System:
The UNT Digital Library
Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910-2001
Article on enthalpies of sublimation of organic and organometallic compounds.
Date:
June 7, 2002
Creator:
Chickos, James S. & Acree, William E. (William Eugene)
System:
The UNT Digital Library