Reimers JR - Search Results

1

Zheng M, Reimers JR, Waller MP, Afonine PV. Zheng M, et al. Among authors: reimers jr. Acta Crystallogr D Struct Biol. 2017 Jan 1;73(Pt 1):45-52. doi: 10.1107/S2059798316019847. Epub 2017 Jan 1. Acta Crystallogr D Struct Biol. 2017. PMID: 28045384 Free PMC article.

2

Solving the scalability issue in quantum-based refinement: Q|R#1.

Zheng M, Moriarty NW, Xu Y, Reimers JR, Afonine PV, Waller MP. Zheng M, et al. Among authors: reimers jr. Acta Crystallogr D Struct Biol. 2017 Dec 1;73(Pt 12):1020-1028. doi: 10.1107/S2059798317016746. Epub 2017 Nov 30. Acta Crystallogr D Struct Biol. 2017. PMID: 29199981 Free PMC article.

3

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.

Reimers JR, McKemmish LK, McKenzie RH, Hush NS. Reimers JR, et al. Phys Chem Chem Phys. 2015 Oct 14;17(38):24641-65. doi: 10.1039/c5cp02238j. Phys Chem Chem Phys. 2015. PMID: 26196265

4

Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li₂.

Yang L, Reimers JR, Kobayashi R, Hush NS. Yang L, et al. Among authors: reimers jr. J Chem Phys. 2019 Sep 28;151(12):124108. doi: 10.1063/1.5117246. J Chem Phys. 2019. PMID: 31575213

5

How Equilibrium Gets Mimicked During Kinetic and Thermodynamic Control in Porphyrin and Phthalocyanine Self-Assembled Monolayers.

Reimers JR. Reimers JR. Langmuir. 2018 Jan 9;34(1):18-22. doi: 10.1021/acs.langmuir.7b03320. Epub 2017 Nov 20. Langmuir. 2018. PMID: 29108413

6

Source code, input data, and sample output concerning the application of multistate density functional theory to the singdoublet and tripdoublet states of the ethylene cation.

Yang L, Grofe A, Reimers JR, Gao J. Yang L, et al. Among authors: reimers jr. Data Brief. 2019 Dec 13;28:104984. doi: 10.1016/j.dib.2019.104984. eCollection 2020 Feb. Data Brief. 2019. PMID: 31909104 Free PMC article.

7

Noel S. Hush.

Reimers JR. Reimers JR. J Phys Chem A. 2019 May 9;123(18):3935-3936. doi: 10.1021/acs.jpca.9b03571. J Phys Chem A. 2019. PMID: 31067858 No abstract available.

8

Noel S. Hush.

Reimers JR. Reimers JR. J Phys Chem B. 2019 May 9;123(18):3885-3886. doi: 10.1021/acs.jpcb.9b03630. J Phys Chem B. 2019. PMID: 31067859 No abstract available.

9

Towards efficient molecular wires and switches: the Brooker ions.

Reimers JR, Craw JS, Bacskay GB, Hush NS. Reimers JR, et al. Biosystems. 1995;35(2-3):107-11. doi: 10.1016/0303-2647(94)01495-s. Biosystems. 1995. PMID: 7488697

10

Modeling the bacterial photosynthetic reaction center 3: interpretation of effects of site-directed mutagenesis on the special-pair midpoint potential.

Reimers JR, Hughes JM, Hush NS. Reimers JR, et al. Biochemistry. 2000 Dec 26;39(51):16185-9. doi: 10.1021/bi001341s. Biochemistry. 2000. PMID: 11123947

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