☰

Stavros Caratzoulas - Publications

Affiliations: 
1993 Chemical Physics Columbia University, New York, NY 
 1993-1996 Chemical Physics University of Massachusetts, Amherst, Amherst, MA 
 1996-1998 University of Birmingham, Birmingham, England, United Kingdom 
 1998-2000 Biophysics Albert Einstein College of Medicine, New York, New York, United States 
 2001-2002 Chemical Engineering Princeton University, Princeton, NJ 
 2002- Catalysis Center for Energy Innovation University of Delaware, Newark, DE, United States 
Tree Info Similar researchers PubMed Report error

50 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
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  0.308
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  0.331
2020 Mello MDd, Kumar G, Tabassum T, Jain SK, Chen T, Caratzoulas S, Li X, Vlachos DG, Han S, Scott SL, Dauenhauer P, Tsapatsis M. Phosphonate‐modified UiO‐66 Brønsted acid catalyst and its use in dehydra‐decyclization of 2‐methyltetrahydrofuran to pentadienes Angewandte Chemie. 59: 13260-13266. DOI: 10.1002/Ange.202001332  0.409
2019 Li S, Abdelrahman OA, Kumar G, Tsapatsis M, Vlachos DG, Caratzoulas S, Dauenhauer PJ. Dehydra-Decyclization of Tetrahydrofuran on H-ZSM5: Mechanisms, Pathways, and Transition State Entropy Acs Catalysis. 9: 10279-10293. DOI: 10.1021/Acscatal.9B03129  0.408
2018 Vasiliadou ES, Li S, Caratzoulas S, Lobo RF. Formaldehyde–isobutene Prins condensation over MFI-type zeolites Catalysis Science & Technology. 8: 5794-5806. DOI: 10.1039/C8Cy01667D  0.304
2018 Salavati-fard T, Vasiliadou ES, Jenness GR, Lobo RF, Caratzoulas S, Doren DJ. Lewis Acid Site and Hydrogen-Bond-Mediated Polarization Synergy in the Catalysis of Diels–Alder Cycloaddition by Band-Gap Transition-Metal Oxides Acs Catalysis. 9: 701-715. DOI: 10.1021/Acscatal.8B03664  0.331
2018 Josephson TR, DeJaco RF, Pahari S, Ren L, Guo Q, Tsapatsis M, Siepmann JI, Vlachos DG, Caratzoulas S. Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite Acs Catalysis. 8: 9056-9065. DOI: 10.1021/Acscatal.8B01615  0.382
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  0.338
2018 Wang C, Li S, Mao X, Caratzoulas S, Gorte RJ. H-D Exchange of Simple Aromatics as a Measure of Brønsted-Acid Site Strengths in Solids Catalysis Letters. 148: 3548-3556. DOI: 10.1007/S10562-018-2563-5  0.33
2017 Salavati-fard T, Caratzoulas S, Lobo RF, Doren DJ. Catalysis of the Diels–Alder Reaction of Furan and Methyl Acrylate in Lewis Acidic Zeolites Acs Catalysis. 7: 2240-2246. DOI: 10.1021/Acscatal.6B02682  0.409
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  0.361
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  0.319
2017 Josephson TR, Jenness GR, Vlachos DG, Caratzoulas S. Distribution of open sites in Sn-Beta zeolite Microporous and Mesoporous Materials. 245: 45-50. DOI: 10.1016/J.Micromeso.2017.02.065  0.317
2017 Li S, Josephson T, Vlachos DG, Caratzoulas S. The origin of selectivity in the conversion of glucose to fructose and mannose in Sn-BEA and Na-exchanged Sn-BEA zeolites Journal of Catalysis. 355: 11-16. DOI: 10.1016/J.Jcat.2017.09.001  0.335
2017 Salavati-fard T, Caratzoulas S, Doren DJ. Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride Chemical Physics. 485: 118-124. DOI: 10.1016/J.Chemphys.2017.01.010  0.434
2017 Miliordos E, Caratzoulas S, Vlachos DG. A periodic-DFT study of retro-aldol fragmentation of fuctose on MoO3 Applied Catalysis a: General. 530: 75-82. DOI: 10.1016/J.Apcata.2016.11.021  0.387
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  0.39
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  0.318
2016 Zhuang Z, Giles SA, Zheng J, Jenness GR, Caratzoulas S, Vlachos DG, Yan Y. Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte. Nature Communications. 7: 10141. PMID 26762466 DOI: 10.1038/Ncomms10141  0.312
2016 Josephson TR, Brand SK, Caratzoulas S, Vlachos DG. 1,2-H- versus 1,2-C-Shift on Sn-Silsesquioxanes Acs Catalysis. 7: 25-33. DOI: 10.1021/Acscatal.6B03128  0.379
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  0.363
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  0.357
2016 Brand SK, Josephson TR, Labinger JA, Caratzoulas S, Vlachos DG, Davis ME. Methyl-ligated tin silsesquioxane catalyzed reactions of glucose Journal of Catalysis. 341: 62-71. DOI: 10.1016/J.Jcat.2016.06.013  0.367
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  0.392
2015 Salavati-fard T, Caratzoulas S, Doren DJ. DFT Study of Solvent Effects in Acid-Catalyzed Diels-Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride. The Journal of Physical Chemistry. A. 119: 9834-43. PMID 26331220 DOI: 10.1021/Acs.Jpca.5B05060  0.411
2015 Yang L, Tsilomelekis G, Caratzoulas S, Vlachos DG. Mechanism of Brønsted acid-catalyzed glucose dehydration. Chemsuschem. 8: 1334-41. PMID 25572774 DOI: 10.1002/Cssc.201403264  0.334
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  0.397
2015 Christianson JR, Caratzoulas S, Vlachos DG. Computational Insight into the Effect of Sn-Beta Na Exchange and Solvent on Glucose Isomerization and Epimerization Acs Catalysis. 5: 5256-5263. DOI: 10.1021/Acscatal.5B01258  0.32
2014 Josephson TR, Tsilomelekis G, Bagia C, Nikolakis V, Vlachos DG, Caratzoulas S. Solvent-induced frequency shifts of 5-hydroxymethylfurfural deduced via infrared spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 118: 12149-60. PMID 25437094 DOI: 10.1021/Jp508340P  0.323
2014 Tsilomelekis G, Josephson TR, Nikolakis V, Caratzoulas S. Origin of 5-hydroxymethylfurfural stability in water/dimethyl sulfoxide mixtures. Chemsuschem. 7: 117-26. PMID 24408726 DOI: 10.1002/Cssc.201300786  0.334
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  0.382
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  0.401
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  0.316
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  0.374
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  0.334
2013 Choudhary V, Caratzoulas S, Vlachos DG. Insights into the isomerization of xylose to xylulose and lyxose by a Lewis acid catalyst. Carbohydrate Research. 368: 89-95. PMID 23353634 DOI: 10.1016/J.Carres.2012.12.019  0.364
2013 Rai N, Caratzoulas S, Vlachos DG. Role of Silanol Group in Sn-Beta Zeolite for Glucose Isomerization and Epimerization Reactions Acs Catalysis. 3: 2294-2298. DOI: 10.1021/Cs400476N  0.372
2013 Nikbin N, Do PT, Caratzoulas S, Lobo RF, Dauenhauer PJ, Vlachos DG. A DFT study of the acid-catalyzed conversion of 2,5-dimethylfuran and ethylene to p-xylene Journal of Catalysis. 297: 35-43. DOI: 10.1016/J.Jcat.2012.09.017  0.397
2012 Mushrif SH, Caratzoulas S, Vlachos DG. Understanding solvent effects in the selective conversion of fructose to 5-hydroxymethyl-furfural: a molecular dynamics investigation. Physical Chemistry Chemical Physics : Pccp. 14: 2637-44. PMID 22273799 DOI: 10.1039/C2Cp22694D  0.367
2012 Guo N, Caratzoulas S, Doren DJ, Sandler SI, Vlachos DG. A perspective on the modeling of biomass processing Energy and Environmental Science. 5: 6703-6716. DOI: 10.1039/C2Ee02663E  0.351
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  0.378
2011 Caratzoulas S, Courtney T, Vlachos DG. Hybrid quantum mechanics/molecular mechanics-based molecular dynamics simulation of acid-catalyzed dehydration of polyols in liquid water. The Journal of Physical Chemistry. A. 115: 8816-21. PMID 21740014 DOI: 10.1021/Jp203436E  0.362
2011 Caratzoulas S, Vlachos DG. Converting fructose to 5-hydroxymethylfurfural: a quantum mechanics/molecular mechanics study of the mechanism and energetics. Carbohydrate Research. 346: 664-72. PMID 21353667 DOI: 10.1016/J.Carres.2011.01.029  0.366
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  0.4
2006 Caratzoulas S, Vlachos DG, Tsapatsis M. On the role of tetramethylammonium cation and effects of solvent dynamics on the stability of the cage-like silicates Si6O156- and Si8O208- in aqueous solution. A molecular dynamics study. Journal of the American Chemical Society. 128: 596-606. PMID 16402848 DOI: 10.1021/Ja0561136  0.3
2005 Floudas C, Akrotirianakis I, Caratzoulas S, Meyer C, Kallrath J. Global optimization in the 21st century: Advances and challenges Computers & Chemical Engineering. 29: 1185-1202. DOI: 10.1016/j.compchemeng.2005.02.006  0.34
2005 Caratzoulas S, Floudas CA. Trigonometric Convex Underestimator for the Base Functions in Fourier Space Journal of Optimization Theory and Applications. 124: 339-362. DOI: 10.1007/S10957-004-0940-2  0.356
2004 Floudas CA, Akrotiriankis IG, Caratzoulas S, Meyer CA, Kallrath J. Global optimization in the 21st century: Advances and challenges Computer Aided Chemical Engineering. 18: 23-51. DOI: 10.1016/J.Compchemeng.2005.02.006  0.36
1997 Caratzoulas S, Jackson B, Persson M. Eley-Rideal and hot-atom reaction dynamics of H(g) with H adsorbed on Cu(111) Journal of Chemical Physics. 107: 6420-6431. DOI: 10.1063/1.474302  0.311
1996 Caratzoulas S, Pechukas P. Phase space path integrals in Monte Carlo quantum dynamics Journal of Chemical Physics. 104: 6265-6277. DOI: 10.1063/1.471303  0.542
Show low-probability matches.