Lewis JP - Search Results

1

Calculation of non-adiabatic coupling vectors in a local-orbital basis set.

Abad E, Lewis JP, Zobač V, Hapala P, Jelínek P, Ortega J. Abad E, et al. Among authors: lewis jp. J Chem Phys. 2013 Apr 21;138(15):154106. doi: 10.1063/1.4801511. J Chem Phys. 2013. PMID: 23614411

2

Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization.

Neukirch AJ, Shamberger LC, Abad E, Haycock BJ, Wang H, Ortega J, Prezhdo OV, Lewis JP. Neukirch AJ, et al. Among authors: lewis jp. J Chem Theory Comput. 2014 Jan 14;10(1):14-23. doi: 10.1021/ct4009816. J Chem Theory Comput. 2014. PMID: 26579888

3

fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems.

Mendieta-Moreno JI, Walker RC, Lewis JP, Gómez-Puertas P, Mendieta J, Ortega J. Mendieta-Moreno JI, et al. Among authors: lewis jp. J Chem Theory Comput. 2014 May 13;10(5):2185-93. doi: 10.1021/ct500033w. J Chem Theory Comput. 2014. PMID: 26580543

4

Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions.

Zobač V, Lewis JP, Jelínek P. Zobač V, et al. Among authors: lewis jp. Nanotechnology. 2016 Jul 15;27(28):285202. doi: 10.1088/0957-4484/27/28/285202. Epub 2016 Jun 3. Nanotechnology. 2016. PMID: 27255903

5

Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers.

Neukirch AJ, Park J, Zobac V, Wang H, Jelinek P, Prezhdo OV, Zhou HC, Lewis JP. Neukirch AJ, et al. Among authors: lewis jp. J Phys Condens Matter. 2015 Apr 10;27(13):134208. doi: 10.1088/0953-8984/27/13/134208. Epub 2015 Mar 13. J Phys Condens Matter. 2015. PMID: 25767112

6

Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.

Zobač V, Lewis JP, Abad E, Mendieta-Moreno JI, Hapala P, Jelínek P, Ortega J. Zobač V, et al. Among authors: lewis jp. J Phys Condens Matter. 2015 May 8;27(17):175002. doi: 10.1088/0953-8984/27/17/175002. Epub 2015 Mar 20. J Phys Condens Matter. 2015. PMID: 25791682

7

Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.

Mendieta-Moreno JI, Trabada DG, Mendieta J, Lewis JP, Gómez-Puertas P, Ortega J. Mendieta-Moreno JI, et al. Among authors: lewis jp. J Phys Chem Lett. 2016 Nov 3;7(21):4391-4397. doi: 10.1021/acs.jpclett.6b02168. Epub 2016 Oct 25. J Phys Chem Lett. 2016. PMID: 27768300

8

Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO2.

Ranasingha O, Wang H, Zobač V, Jelínek P, Panapitiya G, Neukirch AJ, Prezhdo OV, Lewis JP. Ranasingha O, et al. Among authors: lewis jp. J Phys Chem Lett. 2016 Apr 21;7(8):1563-9. doi: 10.1021/acs.jpclett.6b00283. Epub 2016 Apr 13. J Phys Chem Lett. 2016. PMID: 27043706

9

Structural and catalytic properties of the Au_25-xAg_x(SCH₃)₁₈ (x = 6, 7, 8) nanocluster.

Panapitiya G , Wang H , Chen Y , Hussain E , Jin R , Lewis JP . Panapitiya G , et al. Among authors: lewis jp. Phys Chem Chem Phys. 2018 May 23;20(20):13747-13756. doi: 10.1039/c7cp07295c. Phys Chem Chem Phys. 2018. PMID: 29762613

10

A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization.

Tavadze P, Avendaño Franco G, Ren P, Wen X, Li Y, Lewis JP. Tavadze P, et al. Among authors: lewis jp. J Am Chem Soc. 2018 Jan 10;140(1):285-290. doi: 10.1021/jacs.7b10030. Epub 2017 Dec 27. J Am Chem Soc. 2018. PMID: 29235856

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