Sherrill CD - Search Results

1

CLIFF: A component-based, machine-learned, intermolecular force field.

Schriber JB, Nascimento DR, Koutsoukas A, Spronk SA, Cheney DL, Sherrill CD. Schriber JB, et al. Among authors: sherrill cd. J Chem Phys. 2021 May 14;154(18):184110. doi: 10.1063/5.0042989. J Chem Phys. 2021. PMID: 34241025

2

Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods.

Abrams ML, Sherrill CD. Abrams ML, et al. Among authors: sherrill cd. J Chem Phys. 2004 Nov 15;121(19):9211-9. doi: 10.1063/1.1804498. J Chem Phys. 2004. PMID: 15538841

3

High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6.

Temelso B, Sherrill CD. Temelso B, et al. Among authors: sherrill cd. J Chem Phys. 2005 Feb 8;122(6):064315. doi: 10.1063/1.1846671. J Chem Phys. 2005. PMID: 15740380

4

Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.

Bochevarov AD, Sherrill CD. Bochevarov AD, et al. Among authors: sherrill cd. J Chem Phys. 2005 Jun 15;122(23):234110. doi: 10.1063/1.1935508. J Chem Phys. 2005. PMID: 16008433

5

The electronic structure of oxo-Mn(salen): single-reference and multireference approaches.

Sears JS, Sherrill CD. Sears JS, et al. Among authors: sherrill cd. J Chem Phys. 2006 Apr 14;124(14):144314. doi: 10.1063/1.2187974. J Chem Phys. 2006. PMID: 16626203

6

Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking.

Bochevarov AD, Temelso B, Sherrill CD. Bochevarov AD, et al. Among authors: sherrill cd. J Chem Phys. 2006 Aug 7;125(5):054109. doi: 10.1063/1.2222350. J Chem Phys. 2006. PMID: 16942205

7

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

Takatani T, Hohenstein EG, Sherrill CD. Takatani T, et al. Among authors: sherrill cd. J Chem Phys. 2008 Mar 28;128(12):124111. doi: 10.1063/1.2883974. J Chem Phys. 2008. PMID: 18376912

8

Substituent effects in parallel-displaced pi-pi interactions.

Arnstein SA, Sherrill CD. Arnstein SA, et al. Among authors: sherrill cd. Phys Chem Chem Phys. 2008 May 21;10(19):2646-55. doi: 10.1039/b718742d. Epub 2008 Feb 15. Phys Chem Chem Phys. 2008. PMID: 18464979

9

Frontiers in electronic structure theory.

Sherrill CD. Sherrill CD. J Chem Phys. 2010 Mar 21;132(11):110902. doi: 10.1063/1.3369628. J Chem Phys. 2010. PMID: 20331271

10

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

Takatani T, Hohenstein EG, Malagoli M, Marshall MS, Sherrill CD. Takatani T, et al. Among authors: sherrill cd. J Chem Phys. 2010 Apr 14;132(14):144104. doi: 10.1063/1.3378024. J Chem Phys. 2010. PMID: 20405982

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