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Resumé
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Tait Takatani
Group Position: Graduate Student
Currently: Research Faculty, SUNY
Office: Phone:
Mailing Address: Fax:
     E-mail: tait.takatani@gmail.com
    Personal Page: Link
   
 
Educational Background
  • B.S. in Chemistry, Marist College, 2006
  • Ph.D. in Chemistry, Georgia Tech, 2010
PhD. Thesis

     Truth and Tractability: Compromising Between Accuracy and Computational Cost in Quantum Computational Chemistry Methods for Noncovalent Intearctions and Metal-Salen Catalysis

 
Representative Publications

``The Bigger, the Better: Ring-size Effects of Macrocyclic Oligomeric Co(III)-salen Catalysts,'' Y. Liu, J. Rawlston, A. T. Swann, T. Takatani, C. D. Sherrill, P. J. Ludovice, and M. Weck, Chem. Sci. 2, 429-438 (2011) (doi: 10.1039/c0sc00517g)

``Assessing the Performance of Density Functional Theory For the Electronic Structure of Metal-Salens: The M06 Suite of Functionals And the D4-Metals,'' T. Takatani, J. S. Sears, and C. D. Sherrill, J. Phys. Chem. A 114, 11714-11718 (2010) (doi: 10.1021/jp1046084)

``Basis Set Consistent Revision of the S22 Test Set of Noncovalent Interaction Energies,'' T. Takatani, E. G. Hohenstein, M. Malagoli, M. S. Marshall, and C. D. Sherrill, J. Chem. Phys. 132, 144104 (2010) (doi: 10.1063/1.3378024)

``Accurately Characterizing the π-π Interaction Energies of Indole-Benzene Complexes,'' Y. Geng, T. Takatani, E. G. Hohenstein, and C. D. Sherrill, J. Phys. Chem. A 114, 3576-3582 (2010) (doi: 10.1021/jp9099495)

``An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene-Methane, and Benzene-H2S,'' C. D. Sherrill, T. Takatani, and E. G. Hohenstein, J. Phys. Chem. A 113, 10146-10159 (2009) (doi: 10.1021/jp9034375)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The D6-Metals,'' T. Takatani, J. S. Sears, and C. D. Sherrill, J. Phys. Chem. A 113, 9231-9236 (2009) (doi: 10.1021/jp903865t)

``A Versatile Co(bisalen) Unit for Homogeneous and Heterogeneous Cooperative Catalysis in the Hydrolytic Kinetic Resolution of Epoxides,'' K. Venkatasubbaiah, C. S. Gill, T. Takatani, C. D. Sherrill, and C. W. Jones, Chem. Eur. J. 15, 3951-3955 (2009) (doi: 10.1002/chem.200900030)

``Macrocyclic Cyclooctene-supported Salen(AlCl) Catalysts for Conjugated Addition Reactions: Effect of Linker and Support-structure On Catalysis,'' N. Madhavan, T. Takatani, C. D. Sherrill, and M. Weck, Chem. Eur. J. 15, 1186-1194 (2009) (doi: 10.1002/chem.200801611)

``Improvement of the Coupled-Cluster Singles and Doubles Method Via Scaling Same- and Opposite-Spin Components of the Double Excitation Correlation Energy,'' T. Takatani, E. G. Hohenstein, and C. D. Sherrill, J. Chem. Phys. 128, 124111 (2008) (doi: 10.1063/1.2883974)

``Performance of Spin-component-scaled Møller-Plesset Theory (SCS-MP2) for Potential Energy Curves of Noncovalent Interactions,'' T. Takatani and C. D. Sherrill, Phys. Chem. Chem. Phys. 9, 6106-6114 (2007) (doi: 10.1039/b709669k)


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