Parrish RM - Search Results

1

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

Parrish RM, Burns LA, Smith DGA, Simmonett AC, DePrince AE 3rd, Hohenstein EG, Bozkaya U, Sokolov AY, Di Remigio R, Richard RM, Gonthier JF, James AM, McAlexander HR, Kumar A, Saitow M, Wang X, Pritchard BP, Verma P, Schaefer HF 3rd, Patkowski K, King RA, Valeev EF, Evangelista FA, Turney JM, Crawford TD, Sherrill CD. Parrish RM, et al. J Chem Theory Comput. 2017 Jul 11;13(7):3185-3197. doi: 10.1021/acs.jctc.7b00174. Epub 2017 Jun 6. J Chem Theory Comput. 2017. PMID: 28489372 Free PMC article.

2

Role of long-range intermolecular forces in the formation of inorganic nanoparticle clusters.

Gibbs GV, Crawford TD, Wallace AF, Cox DF, Parrish RM, Hohenstein EG, Sherrill CD. Gibbs GV, et al. Among authors: parrish rm. J Phys Chem A. 2011 Nov 17;115(45):12933-40. doi: 10.1021/jp204044k. Epub 2011 Sep 22. J Phys Chem A. 2011. PMID: 21939256

3

Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions.

Hohenstein EG, Parrish RM, Sherrill CD, Turney JM, Schaefer HF 3rd. Hohenstein EG, et al. Among authors: parrish rm. J Chem Phys. 2011 Nov 7;135(17):174107. doi: 10.1063/1.3656681. J Chem Phys. 2011. PMID: 22070292

4

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory.

Hohenstein EG, Parrish RM, Martínez TJ. Hohenstein EG, et al. Among authors: parrish rm. J Chem Phys. 2012 Jul 28;137(4):044103. doi: 10.1063/1.4732310. J Chem Phys. 2012. PMID: 22852593

5

Do deuteriums form stronger CH-π interactions?

Zhao C, Parrish RM, Smith MD, Pellechia PJ, Sherrill CD, Shimizu KD. Zhao C, et al. Among authors: parrish rm. J Am Chem Soc. 2012 Sep 5;134(35):14306-9. doi: 10.1021/ja305788p. Epub 2012 Aug 27. J Am Chem Soc. 2012. PMID: 22900826

6

On the relationship between bond-length alternation and many-electron self-interaction error.

Körzdörfer T, Parrish RM, Sears JS, Sherrill CD, Brédas JL. Körzdörfer T, et al. Among authors: parrish rm. J Chem Phys. 2012 Sep 28;137(12):124305. doi: 10.1063/1.4752431. J Chem Phys. 2012. PMID: 23020329

7

Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions.

Hohenstein EG, Parrish RM, Sherrill CD, Martínez TJ. Hohenstein EG, et al. Among authors: parrish rm. J Chem Phys. 2012 Dec 14;137(22):221101. doi: 10.1063/1.4768241. J Chem Phys. 2012. PMID: 23248980

8

Tensor hypercontraction. II. Least-squares renormalization.

Parrish RM, Hohenstein EG, Martínez TJ, Sherrill CD. Parrish RM, et al. J Chem Phys. 2012 Dec 14;137(22):224106. doi: 10.1063/1.4768233. J Chem Phys. 2012. PMID: 23248986

9

Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide.

Parker TM, Hohenstein EG, Parrish RM, Hud NV, Sherrill CD. Parker TM, et al. Among authors: parrish rm. J Am Chem Soc. 2013 Jan 30;135(4):1306-16. doi: 10.1021/ja3063309. Epub 2013 Jan 16. J Am Chem Soc. 2013. PMID: 23265256

10

Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2.

Hohenstein EG, Kokkila SI, Parrish RM, Martínez TJ. Hohenstein EG, et al. Among authors: parrish rm. J Chem Phys. 2013 Mar 28;138(12):124111. doi: 10.1063/1.4795514. J Chem Phys. 2013. PMID: 23556713

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