Sherrill CD - Search Results

1

Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes.

Sirianni DA, Alenaizan A, Cheney DL, Sherrill CD. Sirianni DA, et al. Among authors: sherrill cd. J Chem Theory Comput. 2018 Jun 12;14(6):3004-3013. doi: 10.1021/acs.jctc.8b00114. Epub 2018 May 29. J Chem Theory Comput. 2018. PMID: 29763302

2

Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.

Burns LA, Vázquez-Mayagoitia A, Sumpter BG, Sherrill CD. Burns LA, et al. Among authors: sherrill cd. J Chem Phys. 2011 Feb 28;134(8):084107. doi: 10.1063/1.3545971. J Chem Phys. 2011. PMID: 21361527

3

Assessment of Empirical Models versus High-Accuracy Ab Initio Methods for Nucleobase Stacking: Evaluating the Importance of Charge Penetration.

Parker TM, Sherrill CD. Parker TM, et al. Among authors: sherrill cd. J Chem Theory Comput. 2015 Sep 8;11(9):4197-204. doi: 10.1021/acs.jctc.5b00588. Epub 2015 Aug 13. J Chem Theory Comput. 2015. PMID: 26575915

4

Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions.

Burns LA, Marshall MS, Sherrill CD. Burns LA, et al. Among authors: sherrill cd. J Chem Theory Comput. 2014 Jan 14;10(1):49-57. doi: 10.1021/ct400149j. Epub 2013 Dec 13. J Chem Theory Comput. 2014. PMID: 26579890 No abstract available.

5

Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian.

DePrince AE 3rd, Sherrill CD. DePrince AE 3rd, et al. Among authors: sherrill cd. J Chem Theory Comput. 2013 Jun 11;9(6):2687-96. doi: 10.1021/ct400250u. Epub 2013 May 10. J Chem Theory Comput. 2013. PMID: 26583862

6

Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition.

Parrish RM, Parker TM, Sherrill CD. Parrish RM, et al. Among authors: sherrill cd. J Chem Theory Comput. 2014 Oct 14;10(10):4417-31. doi: 10.1021/ct500724p. J Chem Theory Comput. 2014. PMID: 26588139

7

Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural Orbitals.

DePrince AE 3rd, Sherrill CD. DePrince AE 3rd, et al. Among authors: sherrill cd. J Chem Theory Comput. 2013 Jan 8;9(1):293-9. doi: 10.1021/ct300780u. Epub 2012 Dec 7. J Chem Theory Comput. 2013. PMID: 26589031

8

Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set.

Flick JC, Kosenkov D, Hohenstein EG, Sherrill CD, Slipchenko LV. Flick JC, et al. Among authors: sherrill cd. J Chem Theory Comput. 2012 Aug 14;8(8):2835-43. doi: 10.1021/ct200673a. Epub 2012 Jul 20. J Chem Theory Comput. 2012. PMID: 26592124

9

Dispersion-Weighted Explicitly Correlated Coupled-Cluster Theory [DW-CCSD(T**)-F12].

Marshall MS, Sherrill CD. Marshall MS, et al. Among authors: sherrill cd. J Chem Theory Comput. 2011 Dec 13;7(12):3978-82. doi: 10.1021/ct200600p. Epub 2011 Nov 2. J Chem Theory Comput. 2011. PMID: 26598343

10

Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP.

Hohenstein EG, Jaeger HM, Carrell EJ, Tschumper GS, Sherrill CD. Hohenstein EG, et al. Among authors: sherrill cd. J Chem Theory Comput. 2011 Sep 13;7(9):2842-51. doi: 10.1021/ct200374m. Epub 2011 Aug 9. J Chem Theory Comput. 2011. PMID: 26605475

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