| Year |
Citation |
Score |
| 2023 |
An Z, Yang P, Duan D, Li J, Wan T, Kong Y, Caratzoulas S, Xiang S, Liu J, Huang L, Frenkel AI, Jiang YY, Long R, Li Z, Vlachos DG. Highly active, ultra-low loading single-atom iron catalysts for catalytic transfer hydrogenation. Nature Communications. 14: 6666. PMID 37863924 DOI: 10.1038/s41467-023-42337-9 |
0.311 |
|
| 2023 |
Kwak Y, Wang C, Kavale CA, Yu K, Selvam E, Mallada R, Santamaria J, Julian I, Catala-Civera JM, Goyal H, Zheng W, Vlachos DG. Microwave-assisted, performance-advantaged electrification of propane dehydrogenation. Science Advances. 9: eadi8219. PMID 37713491 DOI: 10.1126/sciadv.adi8219 |
0.788 |
|
| 2023 |
Vance BC, Najmi S, Kots PA, Wang C, Jeon S, Stach EA, Zakharov DN, Marinkovic N, Ehrlich SN, Ma L, Vlachos DG. Structure-Property Relationships for Nickel Aluminate Catalysts in Polyethylene Hydrogenolysis with Low Methane Selectivity. Jacs Au. 3: 2156-2165. PMID 37654574 DOI: 10.1021/jacsau.3c00232 |
0.304 |
|
| 2023 |
Zong X, Vlachos DG. Reconciling experimental catalytic data stemming from structure sensitivity. Chemical Science. 14: 4337-4345. PMID 37123190 DOI: 10.1039/d2sc06819b |
0.312 |
|
| 2022 |
Ro I, Qi J, Lee S, Xu M, Yan X, Xie Z, Zakem G, Morales A, Chen JG, Pan X, Vlachos DG, Caratzoulas S, Christopher P. Bifunctional hydroformylation on heterogeneous Rh-WO pair site catalysts. Nature. 609: 287-292. PMID 36071187 DOI: 10.1038/s41586-022-05075-4 |
0.347 |
|
| 2022 |
Dong Q, Yao Y, Cheng S, Alexopoulos K, Gao J, Srinivas S, Wang Y, Pei Y, Zheng C, Brozena AH, Zhao H, Wang X, Toraman HE, Yang B, Kevrekidis IG, ... ... Vlachos DG, et al. Programmable heating and quenching for efficient thermochemical synthesis. Nature. 605: 470-476. PMID 35585339 DOI: 10.1038/s41586-022-04568-6 |
0.518 |
|
| 2022 |
Wittreich GR, Liu S, Dauenhauer PJ, Vlachos DG. Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain. Science Advances. 8: eabl6576. PMID 35080982 DOI: 10.1126/sciadv.abl6576 |
0.572 |
|
| 2021 |
Wang C, Xie T, Kots PA, Vance BC, Yu K, Kumar P, Fu J, Liu S, Tsilomelekis G, Stach EA, Zheng W, Vlachos DG. Polyethylene Hydrogenolysis at Mild Conditions over Ruthenium on Tungstated Zirconia. Jacs Au. 1: 1422-1434. PMID 34604852 DOI: 10.1021/jacsau.1c00200 |
0.315 |
|
| 2020 |
Ardagh MA, Shetty M, Kuznetsov A, Zhang Q, Christopher P, Vlachos DG, Abdelrahman OA, Dauenhauer PJ. Catalytic resonance theory: parallel reaction pathway control. Chemical Science. 11: 3501-3510. PMID 34109022 DOI: 10.1039/c9sc06140a |
0.619 |
|
| 2020 |
Alexopoulos K, Vlachos DG. Surface chemistry dictates stability and oxidation state of supported single metal catalyst atoms. Chemical Science. 11: 1469-1477. PMID 34084376 DOI: 10.1039/c9sc05944j |
0.308 |
|
| 2020 |
Dorneles de Mello M, Kumar G, Tabassum T, Jain SK, Chen TH, Caratzoulas S, Li X, Vlachos DG, Han SI, Scott S, Dauenhauer PJ, Tsapatsis M. Phosphonate-modified UiO-66 Brønsted acid catalyst and its use in dehydra-decyclization of 2-methyltetrahydrofuran to pentadienes. Angewandte Chemie (International Ed. in English). PMID 32413202 DOI: 10.1002/anie.202001332 |
0.639 |
|
| 2020 |
Gould NS, Li S, Cho HJ, Landfield H, Caratzoulas S, Vlachos D, Bai P, Xu B. Understanding solvent effects on adsorption and protonation in porous catalysts. Nature Communications. 11: 1060. PMID 32103007 DOI: 10.1038/S41467-020-14860-6 |
0.337 |
|
| 2020 |
Ebikade EO, Wang Y, Samulewicz N, Hasa B, Vlachos D. Active learning-driven quantitative synthesis–structure–property relations for improving performance and revealing active sites of nitrogen-doped carbon for the hydrogen evolution reaction Reaction Chemistry and Engineering. DOI: 10.1039/D0Re00243G |
0.418 |
|
| 2020 |
Ardagh MA, Shetty M, Kuznetsov A, Zhang Q, Christopher P, Vlachos DG, Abdelrahman OA, Dauenhauer PJ. Catalytic resonance theory: parallel reaction pathway control Chemical Science. 11: 3501-3510. DOI: 10.1039/C9Sc06140A |
0.589 |
|
| 2018 |
Vlachos DG, Cheng Z, Saha B. Catalytic Hydrotreatment of Humins to Bio-oil in Methanol over Supported Metal Catalysts. Chemsuschem. PMID 30151873 DOI: 10.1002/cssc.201801535 |
0.312 |
|
| 2018 |
Wang C, Mironenko AV, Raizada A, Chen T, Mao X, Padmanabhan A, Vlachos DG, Gorte RJ, Vohs JM. Mechanistic Study of the Direct Hydrodeoxygenation of m-Cresol over WOx-Decorated Pt/C Catalysts Acs Catalysis. 8: 7749-7759. DOI: 10.1021/Acscatal.8B01746 |
0.306 |
|
| 2018 |
Koehle M, Zhang Z, Goulas KA, Caratzoulas S, Vlachos DG, Lobo RF. Acylation of methylfuran with Brønsted and Lewis acid zeolites Applied Catalysis a: General. 564: 90-101. DOI: 10.1016/J.Apcata.2018.06.005 |
0.516 |
|
| 2017 |
Saha B, Liu S, Dutta S, Zheng W, Gould NS, Cheng Z, Xu B, Vlachos DG. Catalytic Hydrodeoxygenation of High Carbon Furylmethanes to Renewable Jet-fuel Ranged Alkanes over a Rhenium Modified Iridium Catalyst. Chemsuschem. PMID 28686334 DOI: 10.1002/Cssc.201700863 |
0.315 |
|
| 2017 |
Patet RE, Caratzoulas S, Vlachos DG. Tandem Aromatization of Oxygenated Furans by Framework Zinc In Zeolites. A Computational Study The Journal of Physical Chemistry C. 121: 22178-22186. DOI: 10.1021/Acs.Jpcc.7B07402 |
0.777 |
|
| 2017 |
Patet RE, Koehle M, Lobo RF, Caratzoulas S, Vlachos DG. General Acid-Type Catalysis in the Dehydrative Aromatization of Furans to Aromatics in H-[Al]-BEA, H-[Fe]-BEA, H-[Ga]-BEA, and H-[B]-BEA Zeolites The Journal of Physical Chemistry C. 121: 13666-13679. DOI: 10.1021/Acs.Jpcc.7B02344 |
0.781 |
|
| 2017 |
Gilkey MJ, Vlachos DG, Xu B. Poisoning of Ru/C by homogeneous Brønsted acids in hydrodeoxygenation of 2,5-dimethylfuran via catalytic transfer hydrogenation Applied Catalysis a: General. 542: 327-335. DOI: 10.1016/J.Apcata.2017.06.010 |
0.325 |
|
| 2017 |
Patet RE, Fan W, Vlachos DG, Caratzoulas S. Tandem Diels-Alder Reaction of Dimethylfuran and Ethylene and Dehydration to para
-Xylene Catalyzed by Zeotypic Lewis Acids Chemcatchem. 9: 2523-2535. DOI: 10.1002/Cctc.201601584 |
0.794 |
|
| 2016 |
Park DS, Joseph KE, Koehle M, Krumm C, Ren L, Damen JN, Shete MH, Lee HS, Zuo X, Lee B, Fan W, Vlachos DG, Lobo RF, Tsapatsis M, Dauenhauer PJ. Tunable Oleo-Furan Surfactants by Acylation of Renewable Furans. Acs Central Science. 2: 820-824. PMID 27924310 DOI: 10.1021/Acscentsci.6B00208 |
0.665 |
|
| 2016 |
Patet RE, Caratzoulas S, Vlachos DG. Adsorption in zeolites using mechanically embedded ONIOM clusters. Physical Chemistry Chemical Physics : Pccp. 18: 26094-26106. PMID 27711545 DOI: 10.1039/C6Cp03266D |
0.766 |
|
| 2016 |
Sutton JE, Guo W, Katsoulakis MA, Vlachos DG. Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling. Nature Chemistry. 8: 331-7. PMID 27001728 DOI: 10.1038/nchem.2454 |
0.344 |
|
| 2016 |
Williams CL, Vinter KP, Patet RE, Chang CC, Nikbin N, Feng S, Wiatrowski MR, Caratzoulas S, Fan W, Vlachos DG, Dauenhauer PJ. Inhibition of Xylene Isomerization in the Production of Renewable Aromatic Chemicals from Biomass-Derived Furans Acs Catalysis. 6: 2076-2088. DOI: 10.1021/Acscatal.5B02329 |
0.785 |
|
| 2016 |
Konda SSM, Caratzoulas S, Vlachos DG. Computational Insights into the Role of Metal and Acid Sites in Bifunctional Metal/Zeolite Catalysts: A Case Study of Acetone Hydrogenation to 2-Propanol and Subsequent Dehydration to Propene Acs Catalysis. 6: 123-133. DOI: 10.1021/Acscatal.5B01686 |
0.302 |
|
| 2016 |
Swift TD, Nguyen H, Erdman Z, Kruger JS, Nikolakis V, Vlachos DG. Tandem Lewis acid/Brønsted acid-catalyzed conversion of carbohydrates to 5-hydroxymethylfurfural using zeolite beta Journal of Catalysis. 333: 149-161. DOI: 10.1016/J.Jcat.2015.10.009 |
0.739 |
|
| 2016 |
Green SK, Patet RE, Nikbin N, Williams CL, Chang CC, Yu J, Gorte RJ, Caratzoulas S, Fan W, Vlachos DG, Dauenhauer PJ. Diels-Alder cycloaddition of 2-methylfuran and ethylene for renewable toluene Applied Catalysis B: Environmental. 180: 487-496. DOI: 10.1016/J.Apcatb.2015.06.044 |
0.807 |
|
| 2015 |
Guo W, Vlachos DG. Patched bimetallic surfaces are active catalysts for ammonia decomposition. Nature Communications. 6: 8619. PMID 26443525 DOI: 10.1038/ncomms9619 |
0.343 |
|
| 2015 |
Williams CL, Vinter KP, Chang CC, Xiong R, Green SK, Sandler SI, Vlachos DG, Fan W, Dauenhauer PJ. Kinetic regimes in the tandem reactions of H-BEA catalyzed formation of p-xylene from dimethylfuran Catalysis Science and Technology. 6: 178-187. DOI: 10.1039/C5Cy01320H |
0.649 |
|
| 2015 |
Nikbin N, Austin N, Vlachos DG, Stamatakis M, Mpourmpakis G. Catalysis at the sub-nanoscale: Complex CO oxidation chemistry on a few Au atoms Catalysis Science and Technology. 5: 134-141. DOI: 10.1039/C4Cy01295J |
0.795 |
|
| 2015 |
Jenness GR, Vlachos DG. DFT study of the conversion of furfuryl alcohol to 2-methylfuran on RuO2 (110) Journal of Physical Chemistry C. 119: 5938-5945. DOI: 10.1021/Jp5109015 |
0.317 |
|
| 2015 |
Patet RE, Nikbin N, Williams CL, Green SK, Chang CC, Fan W, Caratzoulas S, Dauenhauer PJ, Vlachos DG. Kinetic Regime Change in the Tandem Dehydrative Aromatization of Furan Diels-Alder Products Acs Catalysis. 5: 2367-2375. DOI: 10.1021/Cs5020783 |
0.81 |
|
| 2015 |
Christiansen MA, Mpourmpakis G, Vlachos DG. DFT-driven multi-site microkinetic modeling of ethanol conversion to ethylene and diethyl ether on γ-Al2O3(1 1 1) Journal of Catalysis. 323: 121-131. DOI: 10.1016/J.Jcat.2014.12.024 |
0.62 |
|
| 2015 |
Xiong K, Yu W, Vlachos DG, Chen JG. ChemInform Abstract: Reaction Pathways of Biomass-Derived Oxygenates over Metals and Carbides: From Model Surfaces to Supported Catalysts Cheminform. 46: no-no. DOI: 10.1002/CHIN.201526286 |
0.303 |
|
| 2015 |
Xiong K, Yu W, Vlachos DG, Chen JG. Reaction Pathways of Biomass-Derived Oxygenates over Metals and Carbides: From Model Surfaces to Supported Catalysts Chemcatchem. 7: 1402-1421. DOI: 10.1002/Cctc.201403067 |
0.323 |
|
| 2014 |
Xiong R, Sandler SI, Vlachos DG, Dauenhauer PJ. Solvent-tuned hydrophobicity for faujasite-catalyzed cycloaddition of biomass-derived dimethylfuran for renewable p-xylene Green Chemistry. 16: 4086-4091. DOI: 10.1039/C4Gc00727A |
0.611 |
|
| 2014 |
Nikbin N, Feng S, Caratzoulas S, Vlachos DG. p-Xylene Formation by Dehydrative Aromatization of a Diels–Alder Product in Lewis and Brønsted Acidic Zeolites The Journal of Physical Chemistry C. 118: 24415-24424. DOI: 10.1021/Jp506027F |
0.766 |
|
| 2014 |
Caratzoulas S, Davis ME, Gorte RJ, Gounder R, Lobo RF, Nikolakis V, Sandler SI, Snyder MA, Tsapatsis M, Vlachos DG. Challenges of and Insights into Acid-Catalyzed Transformations of Sugars Journal of Physical Chemistry C. 118: 22815-22833. DOI: 10.1021/Jp504358D |
0.68 |
|
| 2014 |
Jenness GR, Christiansen MA, Caratzoulas S, Vlachos DG, Gorte RJ. Site-dependent Lewis acidity of γ-Al2O3 and its impact on ethanol dehydration and etherification Journal of Physical Chemistry C. 118: 12899-12907. DOI: 10.1021/Jp5028349 |
0.468 |
|
| 2014 |
Yu W, Salciccioli M, Xiong K, Barteau MA, Vlachos DG, Chen JG. Theoretical and experimental studies of C-C versus C-O bond scission of ethylene glycol reaction pathways via metal-modified molybdenum carbides Acs Catalysis. 4: 1409-1418. DOI: 10.1021/Cs500124N |
0.797 |
|
| 2014 |
Nikbin N, Caratzoulas S, Vlachos DG. On the oligomerization mechanism of Brønsted acid-catalyzed conversion of furans to diesel-range fuels Applied Catalysis a: General. 485: 118-122. DOI: 10.1016/J.Apcata.2014.07.035 |
0.759 |
|
| 2014 |
Kruger JS, Nikolakis V, Vlachos DG. Aqueous-phase fructose dehydration using Brønsted acid zeolites: Catalytic activity of dissolved aluminosilicate species Applied Catalysis a: General. 469: 116-123. DOI: 10.1016/J.Apcata.2013.09.030 |
0.68 |
|
| 2014 |
Jae J, Mahmoud E, Lobo RF, Vlachos DG. Back Cover: Cascade of Liquid-Phase Catalytic Transfer Hydrogenation and Etherification of 5-Hydroxymethylfurfural to Potential Biodiesel Components over Lewis Acid Zeolites (ChemCatChem 2/2014) Chemcatchem. 6: 664-664. DOI: 10.1002/Cctc.201490013 |
0.516 |
|
| 2014 |
Jae J, Mahmoud E, Lobo RF, Vlachos DG. Cascade of liquid-phase catalytic transfer hydrogenation and etherification of 5-hydroxymethylfurfural to potential biodiesel components over Lewis acid zeolites Chemcatchem. 6: 508-513. DOI: 10.1002/Cctc.201300978 |
0.537 |
|
| 2014 |
Jae J, Zheng W, Karim AM, Guo W, Lobo RF, Vlachos DG. The role of Ru and RuO2 in the catalytic transfer hydrogenation of 5-hydroxymethylfurfural for the production of 2,5-dimethylfuran Chemcatchem. 6: 848-856. DOI: 10.1002/Cctc.201300945 |
0.575 |
|
| 2013 |
Choudhary V, Pinar AB, Lobo RF, Vlachos DG, Sandler SI. Comparison of homogeneous and heterogeneous catalysts for glucose-to-fructose isomerization in aqueous media Chemsuschem. 6: 2369-2376. PMID 24106178 DOI: 10.1002/Cssc.201300328 |
0.603 |
|
| 2013 |
Nikbin N, Caratzoulas S, Vlachos DG. On the Brønsted acid-catalyzed homogeneous hydrolysis of furans. Chemsuschem. 6: 2066-8. PMID 24006230 DOI: 10.1002/Cssc.201300432 |
0.731 |
|
| 2013 |
Jae J, Zheng W, Lobo RF, Vlachos DG. Production of dimethylfuran from hydroxymethylfurfural through catalytic transfer hydrogenation with ruthenium supported on carbon. Chemsuschem. 6: 1158-62. PMID 23754805 DOI: 10.1002/Cssc.201300288 |
0.509 |
|
| 2013 |
Wang T, Mpourmpakis G, Lonergan WW, Vlachos DG, Chen JG. Effect of oxide supports in stabilizing desirable Pt-Ni bimetallic structures for hydrogenation and reforming reactions. Physical Chemistry Chemical Physics : Pccp. 15: 12156-64. PMID 23689424 DOI: 10.1039/C3Cp44688C |
0.636 |
|
| 2013 |
Ren H, Yu W, Salciccioli M, Chen Y, Huang Y, Xiong K, Vlachos DG, Chen JG. Selective hydrodeoxygenation of biomass-derived oxygenates to unsaturated hydrocarbons using molybdenum carbide catalysts. Chemsuschem. 6: 798-801. PMID 23559531 DOI: 10.1002/Cssc.201200991 |
0.784 |
|
| 2013 |
Christiansen MA, Mpourmpakis G, Vlachos DG. Density Functional Theory-Computed Mechanisms of Ethylene and Diethyl Ether Formation from Ethanol on γ-Al2O3(100) Acs Catalysis. 3: 1965-1975. DOI: 10.1021/Cs4002833 |
0.592 |
|
| 2013 |
Kruger JS, Choudhary V, Nikolakis V, Vlachos DG. Elucidating the roles of zeolite H-BEA in aqueous-phase fructose dehydration and HMF rehydration Acs Catalysis. 3: 1279-1291. DOI: 10.1021/Cs4002157 |
0.731 |
|
| 2013 |
Tupy SA, Chen JG, Vlachos DG. Comparison of ethylene glycol steam reforming over Pt and NiPt catalysts on various supports Topics in Catalysis. 56: 1644-1650. DOI: 10.1007/S11244-013-0099-X |
0.3 |
|
| 2012 |
Stamatakis M, Christiansen MA, Vlachos DG, Mpourmpakis G. Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation. Nano Letters. 12: 3621-6. PMID 22668206 DOI: 10.1021/Nl301318B |
0.715 |
|
| 2012 |
Salciccioli M, Vlachos DG. Kinetic modeling of Pt-catalyzed glycolaldehyde decomposition to syngas. The Journal of Physical Chemistry. A. 116: 4621-8. PMID 22483365 DOI: 10.1021/Jp3017216 |
0.816 |
|
| 2012 |
McManus JR, Salciccioli M, Yu W, Vlachos DG, Chen JG, Vohs JM. Correlating the surface chemistry of C 2 and C 3 aldoses with a C 6 sugar: Reaction of glucose, glyceraldehyde, and glycolaldehyde on Pd(111) Journal of Physical Chemistry C. 116: 18891-18898. DOI: 10.1021/Jp3062509 |
0.779 |
|
| 2012 |
Salciccioli M, Edie SM, Vlachos DG. Adsorption of Acid, Ester, and Ether Functional Groups on Pt: Fast Prediction of Thermochemical Properties of Adsorbed Oxygenates via DFT-Based Group Additivity Methods The Journal of Physical Chemistry C. 116: 1873-1886. DOI: 10.1021/Jp2091413 |
0.778 |
|
| 2012 |
Stamatakis M, Vlachos DG. Unraveling the complexity of catalytic reactions via kinetic monte carlo simulation: Current status and frontiers Acs Catalysis. 2: 2648-2663. DOI: 10.1021/Cs3005709 |
0.585 |
|
| 2012 |
Choudhary V, Sandler SI, Vlachos DG. Conversion of xylose to furfural using Lewis and Brønsted acid catalysts in aqueous media Acs Catalysis. 2: 2022-2028. DOI: 10.1021/Cs300265D |
0.337 |
|
| 2012 |
Roy S, Mpourmpakis G, Hong DY, Vlachos DG, Bhan A, Gorte RJ. Mechanistic study of alcohol dehydration on γ-Al 2O 3 Acs Catalysis. 2: 1846-1853. DOI: 10.1021/Cs300176D |
0.676 |
|
| 2012 |
Salciccioli M, Vlachos DG. Correction to Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition Acs Catalysis. 2: 306-306. DOI: 10.1021/CS300016F |
0.796 |
|
| 2012 |
Williams CL, Chang CC, Do P, Nikbin N, Caratzoulas S, Vlachos DG, Lobo RF, Fan W, Dauenhauer PJ. Cycloaddition of biomass-derived furans for catalytic production of renewable p -xylene Acs Catalysis. 2: 935-939. DOI: 10.1021/Cs300011A |
0.81 |
|
| 2012 |
McManus JR, Yu W, Salciccioli M, Vlachos DG, Chen JG, Vohs JM. Biomass-derived oxygenate reforming on Pt(111): A demonstration of surface science using d-glucose and its model surrogate glycolaldehyde Surface Science. 606. DOI: 10.1016/J.Susc.2012.07.002 |
0.791 |
|
| 2012 |
Kruger JS, Nikolakis V, Vlachos DG. Carbohydrate dehydration using porous catalysts Current Opinion in Chemical Engineering. 1: 312-320. DOI: 10.1016/J.Coche.2012.06.003 |
0.724 |
|
| 2012 |
Courtney TD, Nikolakis V, Mpourmpakis G, Chen JG, Vlachos DG. Liquid-phase dehydration of propylene glycol using solid-acid catalysts Applied Catalysis a: General. 449: 59-68. DOI: 10.1016/J.Apcata.2012.09.034 |
0.651 |
|
| 2012 |
Nikbin N, Caratzoulas S, Vlachos DG. A First Principles-Based Microkinetic Model for the Conversion of Fructose to 5-Hydroxymethylfurfural Chemcatchem. 4: 504-511. DOI: 10.1002/Cctc.201100444 |
0.713 |
|
| 2011 |
Stamatakis M, Vlachos DG. Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast Diffusion. Computers & Chemical Engineering. 35: 2602-2610. PMID 22021942 DOI: 10.1016/J.Compchemeng.2011.05.008 |
0.525 |
|
| 2011 |
Stamatakis M, Vlachos DG. A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics. The Journal of Chemical Physics. 134: 214115. PMID 21663352 DOI: 10.1063/1.3596751 |
0.527 |
|
| 2011 |
Salciccioli M, Yu W, Barteau MA, Chen JG, Vlachos DG. Differentiation of O-H and C-H bond scission mechanisms of ethylene glycol on Pt and Ni/Pt using theory and isotopic labeling experiments Journal of the American Chemical Society. 133: 7996-8004. PMID 21526776 DOI: 10.1021/Ja201801T |
0.796 |
|
| 2011 |
Nikbin N, Mpourmpakis G, Vlachos DG. A Combined DFT and Statistical Mechanics Study for the CO Oxidation on the Au10–1 Cluster The Journal of Physical Chemistry C. 115: 20192-20200. DOI: 10.1021/Jp206820T |
0.809 |
|
| 2011 |
Chen Y, Salciccioli M, Vlachos DG. An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum The Journal of Physical Chemistry C. 115: 18707-18720. DOI: 10.1021/Jp205483M |
0.793 |
|
| 2011 |
Salciccioli M, Chen Y, Vlachos DG. Microkinetic Modeling and Reduced Rate Expressions of Ethylene Hydrogenation and Ethane Hydrogenolysis on Platinum Industrial & Engineering Chemistry Research. 50: 28-40. DOI: 10.1021/Ie100364A |
0.792 |
|
| 2011 |
Choudhary V, Pinar AB, Sandler SI, Vlachos DG, Lobo RF. Xylose isomerization to xylulose and its dehydration to furfural in aqueous media Acs Catalysis. 1: 1724-1728. DOI: 10.1021/Cs200461T |
0.565 |
|
| 2011 |
Salciccioli M, Vlachos DG. Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition Acs Catalysis. 1: 1246-1256. DOI: 10.1021/Cs2003593 |
0.82 |
|
| 2011 |
Hansgen DA, Vlachos DG, Chen JG. Ammonia decomposition activity on monolayer Ni supported on Ru, Pt and WC substrates Surface Science. 605: 2055-2060. DOI: 10.1016/J.Susc.2011.08.004 |
0.341 |
|
| 2011 |
Salciccioli M, Stamatakis M, Caratzoulas S, Vlachos DG. A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior Chemical Engineering Science. 66: 4319-4355. DOI: 10.1016/J.Ces.2011.05.050 |
0.82 |
|
| 2010 |
Wang H, Stamatakis M, Hansgen DA, Caratzoulas S, Vlachos DG. Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments. The Journal of Chemical Physics. 133: 224503. PMID 21171687 DOI: 10.1063/1.3512644 |
0.522 |
|
| 2010 |
Mpourmpakis G, Caratzoulas S, Vlachos DG. What controls au nanoparticle dispersity during growth? Nano Letters. 10: 3408-13. PMID 20718479 DOI: 10.1021/Nl101421Q |
0.567 |
|
| 2010 |
Hansgen DA, Vlachos DG, Chen JG. Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction. Nature Chemistry. 2: 484-9. PMID 20489718 DOI: 10.1038/Nchem.626 |
0.33 |
|
| 2010 |
Collins S, Stamatakis M, Vlachos DG. Adaptive coarse-grained Monte Carlo simulation of reaction and diffusion dynamics in heterogeneous plasma membranes. Bmc Bioinformatics. 11: 218. PMID 20429923 DOI: 10.1186/1471-2105-11-218 |
0.495 |
|
| 2010 |
Mpourmpakis G, Andriotis AN, Vlachos DG. Identification of descriptors for the CO interaction with metal nanoparticles. Nano Letters. 10: 1041-5. PMID 20151700 DOI: 10.1021/Nl904299C |
0.557 |
|
| 2010 |
Al-Majnouni KA, Hould ND, Lonergan WW, Vlachos DG, Lobo RF. High-temperature decomposition of Brønsted acid sites in gallium-substituted zeolites Journal of Physical Chemistry C. 114: 19395-19405. DOI: 10.1021/Jp1067523 |
0.488 |
|
| 2010 |
Papavassiliou V, Pacouloute P, Wu K, Drnevich R, Vlachos D, Hemmings J, Bonnel L. Catalytic Partial Oxidation Pilot Plant Study Industrial & Engineering Chemistry Research. 49: 94-103. DOI: 10.1021/Ie900872R |
0.345 |
|
| 2010 |
Donazzi A, Maestri M, Michael BC, Beretta A, Forzatti P, Groppi G, Tronconi E, Schmidt LD, Vlachos DG. Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams Journal of Catalysis. 275: 270-279. DOI: 10.1016/J.Jcat.2010.08.007 |
0.801 |
|
| 2010 |
Vlachos DG, Chen JG, Gorte RJ, Huber GW, Tsapatsis M. Catalysis center for energy innovation for biomass processing: Research strategies and goals Catalysis Letters. 140: 77-84. DOI: 10.1007/S10562-010-0455-4 |
0.44 |
|
| 2009 |
Karim AM, Prasad V, Mpourmpakis G, Lonergan WW, Frenkel AI, Chen JG, Vlachos DG. Correlating particle size and shape of supported Ru/gamma-Al2O3 catalysts with NH3 decomposition activity. Journal of the American Chemical Society. 131: 12230-9. PMID 19663478 DOI: 10.1021/Ja902587K |
0.566 |
|
| 2009 |
Mpourmpakis G, Vlachos DG. Growth mechanisms of metal nanoparticles via first principles. Physical Review Letters. 102: 155505. PMID 19518650 DOI: 10.1103/Physrevlett.102.155505 |
0.522 |
|
| 2009 |
Mpourmpakis G, Vlachos DG. The Effects of the MgO Support and Alkali Doping on the CO Interaction with Au The Journal of Physical Chemistry C. 113: 7329-7335. DOI: 10.1021/Jp900198M |
0.558 |
|
| 2008 |
Mpourmpakis G, Vlachos DG. Insights into the early stages of metal nanoparticle formation via first-principle calculations: the roles of citrate and water. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 7465-73. PMID 18549294 DOI: 10.1021/La800135S |
0.548 |
|
| 2008 |
Ludwig J, Vlachos DG. Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surface. The Journal of Chemical Physics. 128: 154708. PMID 18433259 DOI: 10.1063/1.2902981 |
0.632 |
|
| 2008 |
Rimer JD, Trofymluk O, Lobo RF, Navrotsky A, Vlachos DG. Thermodynamics of silica nanoparticle self-assembly in basic solutions of monovalent cations Journal of Physical Chemistry C. 112: 14754-14761. DOI: 10.1021/Jp802902X |
0.687 |
|
| 2008 |
Kaisare NS, Deshmukh SR, Vlachos DG. Stability and performance of catalytic microreactors: Simulations of propane catalytic combustion on Pt Chemical Engineering Science. 63: 1098-1116. DOI: 10.1016/J.Ces.2007.11.014 |
0.735 |
|
| 2007 |
Ludwig J, Vlachos DG. Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling. The Journal of Chemical Physics. 127: 154716. PMID 17949200 DOI: 10.1063/1.2794338 |
0.6 |
|
| 2007 |
Samant A, Ogunnaike BA, Vlachos DG. A hybrid multiscale Monte Carlo algorithm (HyMSMC) to cope with disparity in time scales and species populations in intracellular networks. Bmc Bioinformatics. 8: 175. PMID 17524148 DOI: 10.1186/1471-2105-8-175 |
0.45 |
|
| 2007 |
Fedeyko JM, Egolf-Fox H, Fickel DW, Vlachos DG, Lobo RF. Initial stages of self-organization of silica-alumina gels in zeolite synthesis. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 4532-40. PMID 17341101 DOI: 10.1021/La062808O |
0.509 |
|
| 2007 |
Rimer JD, Roth DD, Vlachos DG, Lobo RF. Self-assembly and phase behavior of germanium oxide nanoparticles in basic aqueous solutions. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 2784-91. PMID 17243740 DOI: 10.1021/La062828Q |
0.657 |
|
| 2007 |
Rimer JD, Trofymluk O, Navrotsky A, Lobo RF, Vlachos DG. Kinetic and thermodynamic studies of silica nanoparticle dissolution Chemistry of Materials. 19: 4189-4197. DOI: 10.1021/Cm070708D |
0.662 |
|
| 2007 |
Rimer JD, Vlachos DG, Lobo RF. Kinetics of silicalite-1 crystallization Studies in Surface Science and Catalysis. 170: 133-144. DOI: 10.1016/S0167-2991(07)80831-7 |
0.659 |
|
| 2007 |
DESHMUKH S, VLACHOS D. A reduced mechanism for methane and one-step rate expressions for fuel-lean catalytic combustion of small alkanes on noble metals Combustion and Flame. 149: 366-383. DOI: 10.1016/J.Combustflame.2007.02.006 |
0.778 |
|
| 2007 |
Mayawala K, Vlachos DG, Edwards JS. The role of reaction engineering in cancer biology: Bio-imaging informatics reveals implications of the plasma membrane heterogeneities Chemical Engineering Science. 62: 5222-5231. DOI: 10.1016/J.Ces.2007.01.048 |
0.67 |
|
| 2006 |
Ludwig J, Vlachos DG, van Duin AC, Goddard WA. Dynamics of the dissociation of hydrogen on stepped platinum surfaces using the ReaxFF reactive force field. The Journal of Physical Chemistry. B. 110: 4274-82. PMID 16509724 DOI: 10.1021/Jp0561064 |
0.616 |
|
| 2006 |
Mayawala K, Vlachos DG, Edwards JS. Spatial modeling of dimerization reaction dynamics in the plasma membrane: Monte Carlo vs. continuum differential equations. Biophysical Chemistry. 121: 194-208. PMID 16504372 DOI: 10.1016/J.Bpc.2006.01.008 |
0.704 |
|
| 2006 |
Rimer JD, Fedeyko JM, Vlachos DG, Lobo RF. Silica self-assembly and synthesis of microporous and mesoporous silicates. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2926-34. PMID 16315196 DOI: 10.1002/Chem.200500684 |
0.657 |
|
| 2006 |
Fedeyko JM, Vlachos DG, Lobo RF. Understanding the differences between microporous and mesoporous synthesis through the phase behavior of silica Microporous and Mesoporous Materials. 90: 102-111. DOI: 10.1016/J.Micromeso.2005.10.048 |
0.46 |
|
| 2005 |
Rimer JD, Vlachos DG, Lobo RF. Evolution of self-assembled silica-tetrapropylammonium nanoparticles at elevated temperatures. The Journal of Physical Chemistry. B. 109: 12762-71. PMID 16852582 DOI: 10.1021/Jp052045Y |
0.648 |
|
| 2005 |
Mayawala K, Vlachos DG, Edwards JS. Computational modeling reveals molecular details of epidermal growth factor binding. Bmc Cell Biology. 6: 41. PMID 16318625 DOI: 10.1186/1471-2121-6-41 |
0.667 |
|
| 2005 |
Rimer JD, Lobo RF, Vlachos DG. Physical basis for the formation and stability of silica nanoparticles in basic solutions of monovalent cations. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 8960-71. PMID 16142985 DOI: 10.1021/La0511384 |
0.664 |
|
| 2005 |
Mayawala K, Vlachos DG, Edwards JS. Heterogeneities in EGF receptor density at the cell surface can lead to concave up scatchard plot of EGF binding. Febs Letters. 579: 3043-7. PMID 15896781 DOI: 10.1016/J.Febslet.2005.04.059 |
0.664 |
|
| 2005 |
Fedeyko JM, Vlachos DG, Lobo RF. Formation and structure of self-assembled silica nanoparticles in basic solutions of organic and inorganic cations. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 5197-206. PMID 15896071 DOI: 10.1021/La0468390 |
0.468 |
|
| 2005 |
Chatterjee A, Mayawala K, Edwards JS, Vlachos DG. Time accelerated Monte Carlo simulations of biological networks using the binomial tau-leap method. Bioinformatics (Oxford, England). 21: 2136-7. PMID 15699024 DOI: 10.1093/Bioinformatics/Bti308 |
0.673 |
|
| 2005 |
Liu P, Huang Y, Zhang Y, Bonder MJ, Hadjipanayis GC, Vlachos D, Deshmukh SR. Magnetic and transport properties of Co nanoparticles embedded in a carbon matrix Journal of Applied Physics. 97. DOI: 10.1063/1.1846512 |
0.72 |
|
| 2005 |
Deshmukh S, Vlachos D. Effect of flow configuration on the operation of coupled combustor/reformer microdevices for hydrogen production Chemical Engineering Science. 60: 5718-5728. DOI: 10.1016/J.Ces.2005.04.082 |
0.712 |
|
| 2004 |
Ludwig J, Vlachos D. First Principles Modeling of Dissociative Adsorption at Crystal Surfaces: Hydrogen on Pt(111) Molecular Simulation. 30: 765-771. DOI: 10.1080/0892702042000270160 |
0.606 |
|
| 2004 |
Fedeyko JM, Rimer JD, Lobo RF, Vlachos DG. Spontaneous formation of silica nanoparticles in basic solutions of small tetraalkylammonium cations Journal of Physical Chemistry B. 108: 12271-12275. DOI: 10.1021/Jp047623+ |
0.652 |
|
| 2004 |
Deshmukh SR, Mhadeshwar AB, Vlachos DG. Microreactor Modeling for Hydrogen Production from Ammonia Decomposition on Ruthenium Industrial & Engineering Chemistry Research. 43: 2986-2999. DOI: 10.1021/Ie030557Y |
0.758 |
|
| 2004 |
Rimer JD, Kragten DD, Tsapatsis M, Lobo R, Vlachos D. Growth mechanisms of silicalite-1 Studies in Surface Science and Catalysis. 154: 317-324. DOI: 10.1016/S0167-2991(04)80818-8 |
0.682 |
|
| 2004 |
Fedeyko J, Sawant K, Kragten D, Vlachos D, Lobo RF. The structure of subcolloidal zeolite precursor nanoparticles Studies in Surface Science and Catalysis. 154: 1267-1273. DOI: 10.1016/S0167-2991(04)80638-4 |
0.522 |
|
| 1993 |
Vlachos DG, Schmidt LD, Aris R. Comparison of small metal clusters: Ni, Pd, Pt, Cu, Ag, Au Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 26: 156-158. DOI: 10.1007/Bf01425649 |
0.572 |
|
| 1992 |
Vlachos DG, Schüth F, Aris R, Schmidt LD. Spatial and temporal patterns in catalytic oscillations Physica a: Statistical Mechanics and Its Applications. 188: 302-321. DOI: 10.1016/0378-4371(92)90275-U |
0.594 |
|
| 1991 |
Vlachos DG, Schmidt LD, Aris R. The effect of phase transitions, surface diffusion, and defects on heterogeneous reactions: multiplicities and fluctuations Surface Science. 249: 248-264. DOI: 10.1016/0039-6028(91)90850-R |
0.627 |
|
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