Dunietz BD - Search Results

1

Effect of length and contact chemistry on the electronic structure and thermoelectric properties of molecular junctions.

Tan A, Balachandran J, Sadat S, Gavini V, Dunietz BD, Jang SY, Reddy P. Tan A, et al. Among authors: dunietz bd. J Am Chem Soc. 2011 Jun 15;133(23):8838-41. doi: 10.1021/ja202178k. Epub 2011 May 20. J Am Chem Soc. 2011. PMID: 21563819

2

Synthetic, mechanistic, and computational investigations of nitrile-alkyne cross-metathesis.

Geyer AM, Wiedner ES, Gary JB, Gdula RL, Kuhlmann NC, Johnson MJ, Dunietz BD, Kampf JW. Geyer AM, et al. Among authors: dunietz bd. J Am Chem Soc. 2008 Jul 16;130(28):8984-99. doi: 10.1021/ja800020w. Epub 2008 Jun 20. J Am Chem Soc. 2008. PMID: 18564843

3

Contact geometry symmetry dependence of field effect gating in single-molecule transistors.

Perrine TM, Dunietz BD. Perrine TM, et al. Among authors: dunietz bd. J Am Chem Soc. 2010 Mar 10;132(9):2914-8. doi: 10.1021/ja906234v. J Am Chem Soc. 2010. PMID: 20148552

4

Ab initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes.

Zheng S, Phillips H, Geva E, Dunietz BD. Zheng S, et al. Among authors: dunietz bd. J Am Chem Soc. 2012 Apr 25;134(16):6944-7. doi: 10.1021/ja301442v. Epub 2012 Apr 16. J Am Chem Soc. 2012. PMID: 22506687

5

On the suppression and significance of ghost transmission in electron transport modeling of single molecule junctions.

Pal PP, Dunietz BD. Pal PP, et al. Among authors: dunietz bd. J Chem Phys. 2012 Nov 21;137(19):194104. doi: 10.1063/1.4767344. J Chem Phys. 2012. PMID: 23181291

6

Benchmarking the performance of density functional theory based Green's function formalism utilizing different self-energy models in calculating electronic transmission through molecular systems.

Prociuk A, Van Kuiken B, Dunietz BD. Prociuk A, et al. Among authors: dunietz bd. J Chem Phys. 2006 Nov 28;125(20):204717. doi: 10.1063/1.2397676. J Chem Phys. 2006. PMID: 17144733 Free article.

7

Gating of single molecule transistors: combining field-effect and chemical control.

Perrine TM, Smith RG, Marsh C, Dunietz BD. Perrine TM, et al. Among authors: dunietz bd. J Chem Phys. 2008 Apr 21;128(15):154706. doi: 10.1063/1.2897425. J Chem Phys. 2008. PMID: 18433257

8

Ab initio study of charge transport of hydrogen functionalized palladium wires.

Zhao Z, Dunietz BD. Zhao Z, et al. Among authors: dunietz bd. J Chem Phys. 2008 Jul 14;129(2):024702. doi: 10.1063/1.2943644. J Chem Phys. 2008. PMID: 18624547

9

Bias effects on the electronic spectrum of a molecular bridge.

Phillips H, Prociuk A, Dunietz BD. Phillips H, et al. Among authors: dunietz bd. J Chem Phys. 2011 Feb 7;134(5):054708. doi: 10.1063/1.3531695. J Chem Phys. 2011. PMID: 21303153

10

Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective.

Maiti B, Schubert A, Sarkar S, Bhandari S, Wang K, Li Z, Geva E, Twieg RJ, Dunietz BD. Maiti B, et al. Among authors: dunietz bd. Chem Sci. 2017 Oct 1;8(10):6947-6953. doi: 10.1039/c7sc02491f. Epub 2017 Aug 14. Chem Sci. 2017. PMID: 29147520 Free PMC article.

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