UNT Scholarly Works - 51 Matching Results

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Primary view of Negative ion photoelectron spectroscopy confirms the prediction that D₃ₕ carbon trioxide (CO₃) has a singlet ground state
Hrovat, David A.; Hou, Gao-Lei; Chen, Bo; Wang, Xue-Bin & Borden, Weston T.
November 2, 2015
Primary view of Negative ion photoelectron spectroscopy of P₂N₃⁻: electron affinity and electronic structures of  P₂N₃˙
Hou, Gao-Lei; Chen, Bo; Transue, Wesley J.; Hrovat, David A.; Cummins, Christopher C.; Borden, Weston T. et al.
April 5, 2016
Primary view of Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
May 22, 2015
Primary view of Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand
Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R. & Hillhouse, Gregory L.
December 1, 2014
Primary view of Multireference Character for 4d Transition Metal-Containing Molecules
Wang, Jiaqi; Manivasagam, Sivabalan & Wilson, Angela K.
October 14, 2015
Primary view of Ptᴵᴵ-Catalyzed Ethylene Hydrophenylation: Influence of Dipyridyl Chelate RIng Size on Catalyst Activity and Longevity
McKeown, Bradley A.; Gonzalez, Hector Emanuel; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Sabat, Michal
May 3, 2013
Primary view of Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes
Joslin, Evan E.; McMullin, Claire L.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Sabat, Michal & Myers, William H.
March 27, 2012
Primary view of Cooperativity Between Low-Valent Iron and Potassium Promoters in Dinitrogen Fixation
Figg, Travis M.; Holland, Patrick L. & Cundari, Thomas R., 1964-
June 26, 2012
Primary view of Mechanism of Hydrogenolysis of an Iridium Methyl Bond: Evidence for  a Methane Complex Intermediate
Campos, Jesus; Kundu, Sabuj; Pahls, Dale R.; Brookhart, Maurice S.; Carmona, Ernesto & Cundari, Thomas R., 1964-
January 11, 2013
Primary view of Selective Extraction of N₂ from Air by Diarylimine Iron Complexes
Bartholomew, Erika R.; Volpe, Emily C.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
January 30, 2013
Primary view of Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study
Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K.
June 5, 2013
Primary view of Carbon Dioxide Migration Pathways in Proteins
Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
March 4, 2012
Primary view of Variable Pathways for Oxygen Atom Insertion into Metal-Carbon Bonds: The Case of Cp*W(O)₂(CH₂SiMe₃)
Mei, Jiajun; Carsch, Kurtis M.; Freitag, Cody R.; Gunnoe, T. Brent & Cundari, Thomas R., 1964-
December 24, 2012
Primary view of Synthetic Approaches to (smif)₂Ti (smif=1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation
Frazier, Brenda A.; Wolczanski, Peter T.; Keresztes, Ivan; DeBeer, Serena 1973-; Lobkovsky, Emil B.; Pierpont, Aaron W. et al.
July 25, 2012
Primary view of Developing indicators of the impact of scholarly communication is a massive technical challenge - but it's also much simpler than that
Holbrook, J. Britt
June 12, 2013
Primary view of Three-Coordinate Terminal Imidoiron(III) Complexes: Structure, Spectroscopy, and Mechanism of Formation
Cowley, Ryan E.; DeYonker, Nathan J.; Eckert, Nathan A.; Cundari, Thomas R., 1964-; DeBeer, Serena 1973-; Bill, E. (Eckhard), 1953- et al.
2010
Primary view of The Role of the Glycine Triad in Human Glutathione Synthetase
Dinescu, Adriana; Brown, Teresa R.; Barelier, Sarah; Cundari, Thomas R., 1964- & Anderson, Mary E.
October 1, 2010
Primary view of Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study
Alsunaidi, Zainab H. A.; Cundari, Thomas R. & Wilson, Angela K.
March 24, 2017
Primary view of The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule
Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M.L.
December 21, 2012
Primary view of What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?
Martin, Jan M.L.
February 8, 2013
Primary view of A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺
Schoendorff, George; South, Christopher & Wilson, Angela K.
May 10, 2013
Primary view of Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
Jiang, Wanyi; DeYonker, Nathan J. & Wilson, Angela K.
June 17, 2011
Primary view of Halogen Bonds: Benchmarks and Theoretical Analysis
Kozuch, Sebastian & Martin, Jan M.L.
December 4, 2012
Primary view of [Review] Computational Inorganic and Bioinorganic Chemistry
Cundari, Thomas R., 1964-
April 28, 2010