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James P. Lewis, Ph.D. - Publications

Affiliations: 
West Virginia University  West Virginia University, Morgantown, WV, United States 
Area:
Condensed matter physics
Website:
http://fireball.phys.wvu.edu/

58 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Dai Y, Ren P, Li Y, Lv D, Shen Y, Li Y, Niemantsverdriet H, Besenbacher F, Xiang H, Hao W, Lock N, Wen X, Lewis JP, Su R. Solid Base Bi24O31Br10(OH)δ with Active Lattice Oxygen for Efficient Photo-oxidation of Primary Alcohols to Aldehydes. Angewandte Chemie (International Ed. in English). PMID 30737874 DOI: 10.1002/anie.201900773  0.32
2018 Panapitiya G, Frano GA, Ren P, Wen XD, Li Y, Lewis JP. Machine-learning Prediction of CO Adsorption in Thiolated Ag-alloyed Au Nanoclusters. Journal of the American Chemical Society. PMID 30406644 DOI: 10.1021/jacs.8b08800  0.32
2018 Panapitiya G, Wang H, Chen Y, Hussain E, Jin R, Lewis JP. Structural and catalytic properties of the AuAg(SCH) (x = 6, 7, 8) nanocluster. Physical Chemistry Chemical Physics : Pccp. PMID 29762613 DOI: 10.1039/c7cp07295c  0.4
2017 Tavadze P, Avendaño-Franco G, Ren P, Wen X, Li Y, Lewis JP. A machine-driven hunt for global reaction coordinates of azobenzene photoisomerization. Journal of the American Chemical Society. PMID 29235856 DOI: 10.1021/jacs.7b10030  0.32
2017 Jin R, Zhao S, Liu C, Zhou M, Panapitiya G, Xing Y, Rosi NL, Lewis JP, Jin R. Controlling Ag-doping in [AgxAu25-x(SC6H11)18]- nanoclusters: cryogenic optical, electronic and electrocatalytic properties. Nanoscale. 9: 19183-19190. PMID 29186224 DOI: 10.1039/c7nr05871c  0.32
2016 Mendieta-Moreno JI, Trabada DG, Mendieta J, Lewis JP, Gómez-Puertas P, Ortega J. Quantum Mechanics / Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer. The Journal of Physical Chemistry Letters. PMID 27768300 DOI: 10.1021/acs.jpclett.6b02168  0.44
2016 Wang C, Wang L, Zhang J, Wang H, Lewis JP, Xiao FS. Correction to "Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium Catalyst". Journal of the American Chemical Society. PMID 27715023 DOI: 10.1021/jacs.6b08468  0.4
2016 Wang C, Wang L, Zhang J, Wang H, Lewis JP, Xiao FS. Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium Catalyst. Journal of the American Chemical Society. PMID 27308846 DOI: 10.1021/jacs.6b04951  0.4
2016 Ranasingha O, Wang H, Zobač V, Jelinek P, Panapitiya G, Neukirch AJ, Prezhdo OV, Lewis JP. Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO2. The Journal of Physical Chemistry Letters. PMID 27043706 DOI: 10.1021/acs.jpclett.6b00283  1
2015 Fisch AS, Yerges-Armstrong LM, Backman JD, Wang H, Donnelly P, Ryan KA, Parihar A, Pavlovich MA, Mitchell BD, O'Connell JR, Herzog W, Harman CR, Wren JD, Lewis JP. Genetic Variation in the Platelet Endothelial Aggregation Receptor 1 Gene Results in Endothelial Dysfunction. Plos One. 10: e0138795. PMID 26406321 DOI: 10.1371/journal.pone.0138795  0.4
2015 Karki I, Wang H, Geise NR, Wilson BW, Lewis JP, Gullion T. Tri-peptides on Gold Nanoparticles: Structural Differences Between Two Reverse Sequences as Determined by Solid-State NMR and DFT Calculations. The Journal of Physical Chemistry. B. PMID 26308986 DOI: 10.1021/acs.jpcb.5b04299  1
2015 Wang L, Wang H, Rice AE, Zhang W, Li X, Chen M, Meng X, Lewis JP, Xiao FS. Design and Preparation of Supported Au Catalyst with Enhanced Catalytic Activities by Rationally Positioning Au Nanoparticles on Anatase. The Journal of Physical Chemistry Letters. 6: 2345-9. PMID 26266615 DOI: 10.1021/acs.jpclett.5b00655  0.4
2015 Zoba? V, Lewis JP, Abad E, Mendieta-Moreno JI, Hapala P, Jelínek P, Ortega J. Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 175002. PMID 25791682 DOI: 10.1088/0953-8984/27/17/175002  1
2015 Neukirch AJ, Park J, Zobac V, Wang H, Jelinek P, Prezhdo OV, Zhou HC, Lewis JP. Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 134208. PMID 25767112 DOI: 10.1088/0953-8984/27/13/134208  0.4
2015 Ranasingha OK, Wang C, Ohodnicki PR, Lekse JW, Lewis JP, Matranga C. Synthesis, characterization, and photocatalytic activity of Au-ZnO nanopyramids Journal of Materials Chemistry A. 3: 15141-15147. DOI: 10.1039/c5ta01344e  1
2015 Wang L, Wang H, Rice AE, Zhang W, Li X, Chen M, Meng X, Lewis JP, Xiao FS. Design and preparation of supported Au catalyst with enhanced catalytic activities by rationally positioning Au nanoparticles on anatase Journal of Physical Chemistry Letters. 6: 2345-2349. DOI: 10.1021/acs.jpclett.5b00655  1
2014 Mendieta-Moreno JI, Walker RC, Lewis JP, Gómez-Puertas P, Mendieta J, Ortega J. fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems. Journal of Chemical Theory and Computation. 10: 2185-93. PMID 26580543 DOI: 10.1021/ct500033w  0.44
2014 Neukirch AJ, Shamberger LC, Abad E, Haycock BJ, Wang H, Ortega J, Prezhdo OV, Lewis JP. Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization. Journal of Chemical Theory and Computation. 10: 14-23. PMID 26579888 DOI: 10.1021/ct4009816  0.48
2014 Wang L, Wang H, Liu F, Zheng A, Zhang J, Sun Q, Lewis JP, Zhu L, Meng X, Xiao FS. Selective catalytic production of 5-hydroxymethylfurfural from glucose by adjusting catalyst wettability. Chemsuschem. 7: 402-6. PMID 24399510 DOI: 10.1002/cssc.201301076  1
2014 Lekse JW, Haycock BJ, Lewis JP, Kauffman DR, Matranga C. The effect of electronic structure changes in NaInO2 and NaIn0.9Fe0.1O2 on the photoreduction of methylene blue Journal of Materials Chemistry A. 2: 9331-9337. DOI: 10.1039/c4ta00906a  1
2014 Mendieta-Moreno JI, Walker RC, Lewis JP, Gómez-Puertas P, Mendieta J, Ortega J. Fireball / amber: An efficient local-orbital DFT QM/MM method for biomolecular systems Journal of Chemical Theory and Computation. 10: 2185-2193. DOI: 10.1021/ct500033w  1
2014 Neukirch AJ, Shamberger LC, Abad E, Haycock BJ, Wang H, Ortega J, Prezhdo OV, Lewis JP. Nonadiabatic ensemble simulations of cis-stilbene and cis-azobenzene photoisomerization Journal of Chemical Theory and Computation. 10: 14-23. DOI: 10.1021/ct4009816  1
2014 Haycock BJ, Kylee Rice M, Lewis JP. High-throughput calculations of alloyed delafossite materials: Application to CuGa1-xFexO2 Computational Materials Science. 86: 155-164. DOI: 10.1016/j.commatsci.2014.01.024  1
2014 Haycock BJ, Lander G, Rice MK, Prasai K, Prasai B, Drabold DA, Lewis JP. High-throughput evaluation in nitrogen doping of amorphous titanium dioxide Physica Status Solidi (B) Basic Research. 251: 1225-1230. DOI: 10.1002/pssb.201451010  1
2013 Abad E, Lewis JP, Zoba? V, Hapala P, Jelínek P, Ortega J. Calculation of non-adiabatic coupling vectors in a local-orbital basis set. The Journal of Chemical Physics. 138: 154106. PMID 23614411 DOI: 10.1063/1.4801511  1
2013 Wang L, Wang H, Zhang W, Zhang J, Lewis JP, Meng X, Xiao FS. Aerobic homocoupling of phenylboronic acid on Mg-Al mixed-oxides-supported Au nanoparticles Journal of Catalysis. 298: 186-197. DOI: 10.1016/j.jcat.2012.11.020  1
2012 Haycock BJ, Trabada DG, Ortega J, O'Mahony JD, Lewis JP. Metallization of the potassium overlayer on the β-SiC(100) c(4 × 2) surface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 485001. PMID 23086310 DOI: 10.1088/0953-8984/24/48/485001  1
2012 Scott AM, Petrova T, Odbadrakh K, Nicholson DM, Fuentes-Cabrera M, Lewis JP, Hill FC, Leszczynski J. Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be). Journal of Molecular Modeling. 18: 3363-78. PMID 22271094 DOI: 10.1007/s00894-011-1338-3  1
2012 Carr JA, Wang H, Abraham A, Gullion T, Lewis JP. L -cysteine interaction with Au55 nanoparticle Journal of Physical Chemistry C. 116: 25816-25823. DOI: 10.1021/jp308215n  1
2012 Lekse JW, Underwood MK, Lewis JP, Matranga C. Synthesis, characterization, electronic structure, and photocatalytic behavior of CuGaO 2 and CuGa 1-xFe xO 2 (x = 0.05, 0.10, 0.15, 0.20) delafossites Journal of Physical Chemistry C. 116: 1865-1872. DOI: 10.1021/jp2087225  1
2012 Prasai B, Cai B, Underwood MK, Lewis JP, Drabold DA. Properties of amorphous and crystalline titanium dioxide from first principles Journal of Materials Science. 47: 7515-7521. DOI: 10.1007/s10853-012-6439-6  1
2012 Lekse JW, Lewis JP, Underwood MK, Matranga C. Photochemical reduction of CO2 using delafossite oxides Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.68
2011 Vongsutilers V, Phillips DJ, Train BC, McKelvey GR, Thomsen NM, Shaughnessy KH, Lewis JP, Gannett PM. The conformational effect of para-substituted C8-arylguanine adducts on the B/Z-DNA equilibrium. Biophysical Chemistry. 154: 41-8. PMID 21255902 DOI: 10.1016/j.bpc.2010.12.006  1
2011 Shan Z, Wang H, Meng X, Liu S, Wang L, Wang C, Li F, Lewis JP, Xiao FS. Designed synthesis of TS-1 crystals with controllable b-oriented length. Chemical Communications (Cambridge, England). 47: 1048-50. PMID 21079832 DOI: 10.1039/c0cc03613g  1
2011 Wang L, Wang H, Hapala P, Zhu L, Ren L, Meng X, Lewis JP, Xiao FS. Superior catalytic properties in aerobic oxidation of olefins over Au nanoparticles on pyrrolidone-modified SBA-15 Journal of Catalysis. 281: 30-39. DOI: 10.1016/j.jcat.2011.03.029  1
2011 Lewis JP, Jelínek P, Ortega J, Demkov AA, Trabada DG, Haycock B, Wang H, Adams G, Tomfohr JK, Abad E, Drabold DA. Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism Physica Status Solidi (B) Basic Research. 248: 1989-2007. DOI: 10.1002/pssb.201147259  1
2011 Haycock B, Ortega J, Lewis JP. Failure of potassium dimer formation on the β-SiC(100)-c(4×2) surface Physica Status Solidi (B) Basic Research. 248: 2072-2075. DOI: 10.1002/pssb.201147170  1
2011 Wang H, Lewis JP. The reactive sites in faceted anatase nanoparticles Physica Status Solidi (B) Basic Research. 248: 2037-2043. DOI: 10.1002/pssb.201147134  1
2010 Wu N, Wang J, Tafen de N, Wang H, Zheng JG, Lewis JP, Liu X, Leonard SS, Manivannan A. Shape-enhanced photocatalytic activity of single-crystalline anatase TiO(2) (101) nanobelts. Journal of the American Chemical Society. 132: 6679-85. PMID 20420405 DOI: 10.1021/ja909456f  1
2010 Xiong R, Keffer DJ, Fuentes-Cabrera M, Nicholson DM, Michalkova A, Petrova T, Leszczynski J, Odbadrakh K, Doss BL, Lewis JP. Effect of charge distribution on RDX adsorption in IRMOF-10. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 5942-50. PMID 20205416 DOI: 10.1021/la9039013  1
2010 Keith JB, Fennick JR, Nelson DR, Junkermeier CE, Lin JYY, Li CW, McKerns MM, Lewis JP, Fultz B. AtomSim: Web-deployed atomistic dynamics simulator Journal of Applied Crystallography. 43: 1553-1559. DOI: 10.1107/S0021889810037209  1
2010 Odbadrakh K, Lewis JP, Nicholson DM. Interaction of the explosive molecules RDX and TATP with IRMOF-8 Journal of Physical Chemistry C. 114: 7535-7540. DOI: 10.1021/jp906192g  1
2010 Odbadrakh K, Lewis JP, Nicholson DM, Petrova T, Michalkova A, Leszczynski J. Interactions of cyclotrimethylene trinitramine (RDX) with metal-organic framework IRMOF-1 Journal of Physical Chemistry C. 114: 3732-3736. DOI: 10.1021/jp905459h  1
2010 Xiong R, Odbadrakh K, Michalkova A, Luna JP, Petrova T, Keffer DJ, Nicholson DM, Fuentes-Cabrera MA, Lewis JP, Leszczynski J. Evaluation of functionalized isoreticular metal organic frameworks (IRMOFs) as smart nanoporous preconcentrators of RDX Sensors and Actuators, B: Chemical. 148: 459-468. DOI: 10.1016/j.snb.2010.05.064  1
2010 Inam F, Lewis JP, Drabold DA. Hidden structure in amorphous solids Physica Status Solidi (a) Applications and Materials Science. 207: 599-604. DOI: 10.1002/pssa.200982877  1
2009 Wang J, Tafen de N, Lewis JP, Hong Z, Manivannan A, Zhi M, Li M, Wu N. Origin of photocatalytic activity of nitrogen-doped TiO2 nanobelts. Journal of the American Chemical Society. 131: 12290-7. PMID 19705915 DOI: 10.1021/ja903781h  1
2009 Tafen DN, Lewis JP. Structure, stability, and electronic properties of thin TiO2 nanowires Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.014104  1
2009 Junkermeier CE, Lewis JP, Bryant GW. Amorphous nature of small CdS nanoparticles: Molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.125323  1
2009 De Tafen N, Wang J, Wu N, Lewis JP. Visible light photocatalytic activity in nitrogen-doped TiO2 nanobelts Applied Physics Letters. 94. DOI: 10.1063/1.3093820  1
2009 Wang H, Cheatham TE, Gannett PM, Lewis JP. Differential electronic states observed during A-B DNA duplex conformational transitions Soft Matter. 5: 685-690. DOI: 10.1039/b800462e  1
2009 Wang H, Lewis JP. Localization of frontier orbitals on anatase nanoparticles impacts water adsorption Journal of Physical Chemistry C. 113: 16631-16637. DOI: 10.1021/jp905489s  1
2009 Keith JB, Fennick JR, Junkermeier CE, Nelson DR, Lewis JP. A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball Computer Physics Communications. 180: 418-426. DOI: 10.1016/j.cpc.2008.10.007  1
2008 Ma N, Cooper BR, Lewis JP, Kang BS. Criteria for ductility in Cr alloys based on electronic structures Applied Physics Letters. 93. DOI: 10.1063/1.2981575  1
2007 Sun X, Sengupta S, Petersen JL, Wang H, Lewis JP, Shi X. Intermolecular cross-double-michael addition between nitro and carbonyl activated olefins as a new approach in C-C bond formation. Organic Letters. 9: 4495-8. PMID 17910465 DOI: 10.1021/ol702059x  0.4
2007 Takahashi R, Wang H, Lewis JP. Electronic structures and conductivity in peptide nanotubes. The Journal of Physical Chemistry. B. 111: 9093-8. PMID 17625821 DOI: 10.1021/jp0708446  1
2004 Wang H, Lewis JP, Sankey OF. Band-gap tunneling states in DNA. Physical Review Letters. 93: 016401. PMID 15323997 DOI: 10.1103/PhysRevLett.93.016401  1
1995 Lewis JP, Sankey OF. Geometry and energetics of DNA basepairs and triplets from first principles quantum molecular relaxations. Biophysical Journal. 69: 1068-76. PMID 8519960 DOI: 10.1016/S0006-3495(95)79980-5  1
1994 Ortega J, Lewis JP, Sankey OF. Simplified electronic-structure model for hydrogen-bonded systems: Water. Physical Review. B, Condensed Matter. 50: 10516-10530. PMID 9975149  1
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