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1

Basis set consistent revision of the S22 test set of noncovalent interaction energies

Takatani, Tait, Hohenstein, Edward G., Malagoli, Massimo, Marshall, Michael S., Sherrill, C. David

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 318 KB

english, 2010

2

Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy

Takatani, Tait, Hohenstein, Edward G., Sherrill, C. David

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 469 KB

english, 2008

3

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†

Sherrill, C. David, Takatani, Tait, Hohenstein, Edward G.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 641 KB

english, 2009

4

Three to Tango: MUC1 as a Ligand for Both E-Selectin and ICAM-1 in the Breast Cancer Metastatic Cascade

Geng, Yue, Yeh, Kimberly, Takatani, Tait, King, Michael R.

Journal:

Frontiers in Oncology

Year:

2012

Language:

english

File:

PDF, 2.25 MB

english, 2012

5

Proposed reaction mechanisms for selenium UV photolysis vapor generation by computational methods

Tait Takatani, Neil Fitzgerald, John Morrison Galbraith

Journal:

Analytical and Bioanalytical Chemistry

Year:

2007

Language:

english

File:

PDF, 131 KB

english, 2007

6

Targeting Underglycosylated MUC1 for the Selective Capture of Highly Metastatic Breast Cancer Cells Under Flow

Yue Geng, Tait Takatani, Kimberly Yeh…

Journal:

Cellular and Molecular Bioengineering

Year:

2013

Language:

english

File:

PDF, 993 KB

english, 2013

7

Performance of spin-component-scaled Møller–Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions

Takatani, Tait, David Sherrill, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 980 KB

english, 2007

8

Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens: The M06 Suite of Functionals and the d 4 -Metals

Takatani, Tait, Sears, John S., Sherrill, C. David

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 653 KB

english, 2010

9

A Versatile Co(bisalen) Unit for Homogeneous and Heterogeneous Cooperative Catalysis in the Hydrolytic Kinetic Resolution of Epoxides

Krishnan Venkatasubbaiah, Christopher S. Gill, Tait Takatani, C. David Sherrill, Christopher W. Jones

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 242 KB

english, 2009

10

Effect of Extracellular pH on Selectin Adhesion: Theory and Experiment

Cao, Thong M., Takatani, Tait, King, Michael R.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

11

Accurately Characterizing the π−π Interaction Energies of Indole−Benzene Complexes

Geng, Yue, Takatani, Tait, Hohenstein, Edward G., Sherrill, C. David

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.02 MB

english, 2010

12

Correction

Cao, Thong M., Takatani, Tait, King, Michael R.

Journal:

Biophysical Journal

Year:

2013

File:

PDF, 28 KB

2013

13

Macrocyclic Cyclooctene-Supported AlCl–Salen Catalysts for Conjugated Addition Reactions: Effect of Linker and Support Structure on Catalysis

Nandita Madhavan, Tait Takatani, C. David Sherrill, Marcus Weck

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 475 KB

english, 2009

14

Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens: The d 6 -Metals

Takatani, Tait, Sears, John S., Sherrill, C. David

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 808 KB

english, 2009

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