Thomas R. Cundari

Overview

Best Publications

• Effective core potential methods for the lanthanides

  Thomas R. Cundari;Walter J. Stevens

  1530
  Citations

• Copper–Nitrene Complexes in Catalytic C ? H Amination

  Yosra M. Badiei;Adriana Dinescu;Xuliang Dai;Robert M. Palomino

  443
  Citations

• The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

  Nathan J. DeYonker;Thomas R. Cundari;Angela K. Wilson

  412
  Citations

• CO2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis

  Cong Liu;Thomas R. Cundari;Angela K. Wilson

  353
  Citations

• Studies of low-coordinate iron dinitrogen complexes.

  Jeremy M. Smith;Azwana R. Sadique;Thomas R. Cundari;Kenton R. Rodgers

  348
  Citations

• Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes

  Mohammad A. Omary;Manal A. Rawashdeh-Omary;M. W. Alexander Gonser;Oussama Elbjeirami

  317
  Citations

• Stepwise reduction of dinitrogen bond order by a low-coordinate iron complex.

  Jeremy M. Smith;Rene J. Lachicotte;Karl A. Pittard;Thomas R. Cundari

  312
  Citations

• Ru(II) catalysts supported by hydridotris(pyrazolyl)borate for the hydroarylation of olefins: reaction scope, mechanistic studies, and guides for the development of improved catalysts.

  Nicholas A. Foley;John P. Lee;Zhuofeng Ke;T. Brent Gunnoe

  267
  Citations

• Catalytic C ? H Amination with Unactivated Amines through Copper(II) Amides

  Stefan Wiese;Yosra M. Badiei;Raymond T. Gephart;Susanne Mossin;Susanne Mossin

  220
  Citations

• The reactivity patterns of low-coordinate iron-hydride complexes.

  Ying Yu;Azwana R. Sadique;Jeremy M. Smith;Thomas R. Dugan

  200
  Citations

• Quantitative computational thermochemistry of transition metal species.

  Nathan J. DeYonker;Kirk A. Peterson;Gideon Steyl;and Angela K. Wilson

  192
  Citations

• A two-coordinate nickel imido complex that effects C-H amination

  Carl A. Laskowski;Alexander J. M. Miller;Gregory L. Hillhouse;Thomas R. Cundari

  186
  Citations

• Coordination‐Number Dependence of Reactivity in an Imidoiron(III) Complex

  Nathan A. Eckert;Sridhar Vaddadi;Sebastian Stoian;Rene J. Lachicotte

  177
  Citations

• An intermediate neglect of differential overlap model for second-row transition metal species

  Wayne P. Anderson;Thomas R. Cundari;Michael C. Zerner

  177
  Citations

• Computational studies of transition metal-main group multiple bonding.

  Thomas R. Cundari

  172
  Citations

• The correlation-consistent composite approach: Application to the G3/99 test set

  Nathan J. DeYonker;Tom Grimes;Scott Yockel;Adriana Dinescu

  172
  Citations

• Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds

  Nicole D. Harrold;Rory Waterman;Gregory L. Hillhouse;Thomas R. Cundari

  169
  Citations

• Reaction of CuI with Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C–H Etherification

  Raymond T. Gephart;Claire L. McMullin;Nicholas G. Sapiezynski;Eun Sil Jang

  163
  Citations

• Transition Metal Imido Complexes

  Thomas R. Cundari

  162
  Citations

• Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes

  Thomas R. Cundari;Mark S. Gordon

  161
  Citations

• Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins

  Marty Lail;Christen M. Bell;David Conner;Thomas R. Cundari

  159
  Citations

• Computational Organometallic Chemistry

  Thomas R. Cundari

  124
  Citations

• Computational Inorganic and Bioinorganic Chemistry

  Thomas R. Cundari

  14
  Citations