Abbott AS - Search Results

1

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

Smith DGA, Burns LA, Sirianni DA, Nascimento DR, Kumar A, James AM, Schriber JB, Zhang T, Zhang B, Abbott AS, Berquist EJ, Lechner MH, Cunha LA, Heide AG, Waldrop JM, Takeshita TY, Alenaizan A, Neuhauser D, King RA, Simmonett AC, Turney JM, Schaefer HF, Evangelista FA, DePrince AE 3rd, Crawford TD, Patkowski K, Sherrill CD. Smith DGA, et al. Among authors: abbott as. J Chem Theory Comput. 2018 Jul 10;14(7):3504-3511. doi: 10.1021/acs.jctc.8b00286. Epub 2018 Jun 11. J Chem Theory Comput. 2018. PMID: 29771539

2

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces.

Abbott AS, Turney JM, Zhang B, Smith DGA, Altarawy D, Schaefer HF 3rd. Abbott AS, et al. J Chem Theory Comput. 2019 Aug 13;15(8):4386-4398. doi: 10.1021/acs.jctc.9b00312. Epub 2019 Jul 8. J Chem Theory Comput. 2019. PMID: 31283237

3

The Structure and Cl-O Dissociation Energy of the ClOO Radical: Finally, the Right Answers for the Right Reason.

Abbott AS, Schaefer HF 3rd. Abbott AS, et al. J Phys Chem A. 2018 Mar 8;122(9):2604-2610. doi: 10.1021/acs.jpca.8b00394. Epub 2018 Feb 26. J Phys Chem A. 2018. PMID: 29443521

4

Reinterpretation of the electronic absorption spectrum of the methylene amidogen radical (H₂CN).

Abbott AS, Glick ZL, Schaefer HF 3rd. Abbott AS, et al. J Chem Phys. 2018 Sep 7;149(9):094302. doi: 10.1063/1.5042763. J Chem Phys. 2018. PMID: 30195299

5

Characterization of the 2-methylvinoxy radical + O₂ reaction: A focal point analysis and composite multireference study.

Davis MM, Weidman JD, Abbott AS, Douberly GE, Turney JM, Schaefer HF 3rd. Davis MM, et al. Among authors: abbott as. J Chem Phys. 2019 Sep 28;151(12):124302. doi: 10.1063/1.5113800. J Chem Phys. 2019. PMID: 31575204

6

Arbitrary-Order Derivatives of Quantum Chemical Methods via Automatic Differentiation.

Abbott AS, Abbott BZ, Turney JM, Schaefer HF 3rd. Abbott AS, et al. J Phys Chem Lett. 2021 Apr 1;12(12):3232-3239. doi: 10.1021/acs.jpclett.1c00607. Epub 2021 Mar 25. J Phys Chem Lett. 2021. PMID: 33764068

7

The addition of methanol to Criegee intermediates.

Aroeira GJR , Abbott AS , Elliott SN , Turney JM , Schaefer HF . Aroeira GJR , et al. Among authors: abbott as. Phys Chem Chem Phys. 2019 Aug 28;21(32):17760-17771. doi: 10.1039/c9cp03480c. Epub 2019 Aug 1. Phys Chem Chem Phys. 2019. PMID: 31368461

8

Radicals derived from acetaldehyde and vinyl alcohol.

Estep ML, Morgan WJ, Winkles AT, Abbott AS, Villegas-Escobar N, Mullinax JW, Turner WE, Wang X, Turney JM, Schaefer HF. Estep ML, et al. Among authors: abbott as. Phys Chem Chem Phys. 2017 Oct 18;19(40):27275-27287. doi: 10.1039/c7cp04671e. Phys Chem Chem Phys. 2017. PMID: 28868538

9

Diagnosing groups: the pooling, management, and impact of shared and unshared case information in team-based medical decision making.

Larson JR Jr, Christensen C, Franz TM, Abbott AS. Larson JR Jr, et al. Among authors: abbott as. J Pers Soc Psychol. 1998 Jul;75(1):93-108. doi: 10.1037//0022-3514.75.1.93. J Pers Soc Psychol. 1998. PMID: 9686452

10

Diagnosing groups: charting the flow of information in medical decision-making teams.

Larson JR Jr, Christensen C, Abbott AS, Franz TM. Larson JR Jr, et al. Among authors: abbott as. J Pers Soc Psychol. 1996 Aug;71(2):315-30. doi: 10.1037//0022-3514.71.2.315. J Pers Soc Psychol. 1996. PMID: 8765484

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