Tait Takatani, Ph.D.

Affiliations: 
2010 Georgia Institute of Technology, Atlanta, GA 
Area:
quantum chemistry
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C. David Sherrill grad student 2010 Georgia Tech
 (Truth and tractability: Compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis.)
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Publications

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Geng Y, Takatani T, Yeh K, et al. (2013) Targeting Underglycosylated MUC1 for the Selective Capture of Highly Metastatic Breast Cancer Cells Under Flow. Cellular and Molecular Bioengineering. 6: 148-159
Geng Y, Yeh K, Takatani T, et al. (2012) Three to Tango: MUC1 as a Ligand for Both E-Selectin and ICAM-1 in the Breast Cancer Metastatic Cascade. Frontiers in Oncology. 2: 76
Liu Y, Rawlston J, Swann AT, et al. (2011) The bigger, the better: Ring-size effects of macrocyclic oligomeric Co(III)-salen catalysts Chemical Science. 2: 429-438
Takatani T, Sears JS, Sherrill CD. (2010) Assessing the performance of density functional theory for the electronic structure of metal-salens: the M06 suite of functionals and the d⁴-metals. The Journal of Physical Chemistry. A. 114: 11714-8
Takatani T, Hohenstein EG, Malagoli M, et al. (2010) Basis set consistent revision of the S22 test set of noncovalent interaction energies. The Journal of Chemical Physics. 132: 144104
Geng Y, Takatani T, Hohenstein EG, et al. (2010) Accurately characterizing the pi-pi interaction energies of indole-benzene complexes. The Journal of Physical Chemistry. A. 114: 3576-82
Sherrill CD, Takatani T, Hohenstein EG. (2009) 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. The Journal of Physical Chemistry. A. 113: 10146-59
Takatani T, Sears JS, Sherrill CD. (2009) Assessing the performance of density functional theory for the electronic structure of metal-salens: the d6-metals. The Journal of Physical Chemistry. A. 113: 9231-6
Madhavan N, Takatani T, Sherrill CD, et al. (2009) Macrocyclic cyclooctene-supported AlCl-salen catalysts for conjugated addition reactions: effect of linker and support structure on catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 1186-94
Takatani T, Hohenstein EG, Sherrill CD. (2008) Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy. The Journal of Chemical Physics. 128: 124111
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