S. Caratzoulas: search on Z-Library

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1

Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p -Xylene

Williams, C. Luke, Chang, Chun-Chih, Do, Phuong, Nikbin, Nima, Caratzoulas, Stavros, Vlachos, Dionisios G., Lobo, Raul F., Fan, Wei, Dauenhauer, Paul J.

Journal:

Year:

2012

Language:

english

File:

PDF, 270 KB

english, 2012

2

Understanding solvent effects on adsorption and protonation in porous catalysts

Gould, Nicholas S., Li, Sha, Cho, Hong Je, Landfield, Harrison, Caratzoulas, Stavros, Vlachos, Dionisios, Bai, Peng, Xu, Bingjun

Journal:

Nature Communications

Year:

2020

Language:

english

File:

PDF, 1.23 MB

english, 2020

3

Mechanism of Brønsted Acid-Catalyzed Glucose Dehydration

Yang, Liu, Tsilomelekis, George, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

4

A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

M. Salciccioli, M. Stamatakis, S. Caratzoulas, D.G. Vlachos

Journal:

Chemical Engineering Science

Year:

2011

Language:

english

File:

PDF, 3.49 MB

english, 2011

5

Phosphonateâmodified UiOâ66 BrÃ¸nsted acid catalyst and its use in dehydraâdecyclization of 2âmethyltetrahydrofuran to pentadienes

Dorneles de Mello, Matheus, Kumar, Gaurav, Tabassum, Tarnuma, Jain, Sheetal K, Chen, Tso-Hsuan, Caratzoulas, Stavros, Li, Xinyu, Vlachos, Dionisios G., Han, Songi-i, Scott, Susannah, Dauenhauer, Paul

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.69 MB

2020

6

Formaldehyde–isobutene Prins condensation over MFI-type zeolites

Vasiliadou, Efterpi S., Li, Sha, Caratzoulas, Stavros, Lobo, Raul F.

Journal:

Catalysis Science & Technology

Year:

2018

Language:

english

File:

PDF, 2.76 MB

english, 2018

7

Mechanism of Brønsted Acid-Catalyzed Glucose Dehydration

Yang, Liu, Tsilomelekis, George, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.85 MB

english, 2015

8

Distribution of open sites in Sn-Beta zeolite

Josephson, Tyler R., Jenness, Glen R., Vlachos, Dionisios G., Caratzoulas, Stavros

Journal:

Microporous and Mesoporous Materials

Year:

2017

Language:

english

File:

PDF, 1.64 MB

english, 2017

9

Lewis Acid Site and Hydrogen-Bond-Mediated Polarization Synergy in the Catalysis of Diels-Alder Cycloaddition by Band-Gap Transition Metal Oxides

Salavati-fard, Taha, Vasiliadou, Efterpi S., Jenness, Glen Richard, Lobo, Raul F., Caratzoulas, Stavros, Doren, Douglas J

Journal:

Year:

2018

Language:

english

File:

PDF, 1.70 MB

english, 2018

10

The roles of catalysis and reaction engineering in overcoming the energy and the environment crisis

D.G. Vlachos, S. Caratzoulas

Journal:

Chemical Engineering Science

Year:

2010

Language:

english

File:

PDF, 746 KB

english, 2010

11

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

Konda, Sai Sriharsha M., Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2015

Language:

english

File:

PDF, 12.66 MB

english, 2015

12

Methyl-ligated tin silsesquioxane catalyzed reactions of glucose

Brand, Stephen K., Josephson, Tyler R., Labinger, Jay A., Caratzoulas, Stavros, Vlachos, Dionisios G., Davis, Mark E.

Journal:

Journal of Catalysis

Year:

2016

Language:

english

File:

PDF, 1.59 MB

english, 2016

13

A periodic-DFT study of retro-aldol fragmentation of fuctose on MoO3

Miliordos, Evangelos, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Applied Catalysis A: General

Year:

2017

Language:

english

File:

PDF, 1.87 MB

english, 2017

14

Cover Picture: Origin of 5-Hydroxymethylfurfural Stability in Water/Dimethyl Sulfoxide Mixtures (ChemSusChem 1/2014)

Tsilomelekis, George, Josephson, Tyler R., Nikolakis, Vladimiros, Caratzoulas, Stavros

Journal:

Year:

2014

Language:

english

File:

PDF, 552 KB

english, 2014

15

The origin of selectivity in the conversion of glucose to fructose and mannose in Sn-BEA and Na-exchanged Sn-BEA zeolites

Li, Sha, Josephson, Tyler, Vlachos, Dionisios G., Caratzoulas, Stavros

Journal:

Journal of Catalysis

Year:

2017

Language:

english

File:

PDF, 950 KB

english, 2017

16

Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride

Salavati-fard, Taha, Caratzoulas, Stavros, Doren, Douglas J.

Journal:

Chemical Physics

Year:

2017

Language:

english

File:

PDF, 514 KB

english, 2017

17

Acylation Of Methylfuran With Brønsted And Lewis Acid Zeolites

Koehle, Maura, Zhang, Zhiqiang, Goulas, Konstantinos A., Caratzoulas, Stavros, Vlachos, Dionisios G., Lobo, Raul F.

Journal:

Applied Catalysis A: General

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

18

What Controls Au Nanoparticle Dispersity during Growth?

Mpourmpakis, Giannis, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2010

Language:

english

File:

PDF, 2.80 MB

english, 2010

19

Computational Insight into the Effect of Sn-Beta Na Exchange and Solvent on Glucose Isomerization and Epimerization

Christianson, Jeffrey R., Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2015

Language:

english

File:

PDF, 374 KB

english, 2015

20

On the oligomerization mechanism of Brønsted acid-catalyzed conversion of furans to diesel-range fuels

Nikbin, Nima, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Applied Catalysis A: General

Year:

2014

Language:

english

File:

PDF, 568 KB

english, 2014

21

Potential of Mean Force for Tetramethylammonium Binding to Cagelike Oligosilicates in Aqueous Solution

Caratzoulas, S., Vlachos, D. G., Tsapatsis, M.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 278 KB

english, 2006

22

p- Xylene Formation by Dehydrative Aromatization of a Diels–Alder Product in Lewis and Brønsted Acidic Zeolites

Nikbin, Nima, Feng, Shuting, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.04 MB

english, 2014

23

A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases

Caratzoulas, Stavros, Schwartz, Steven D.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 343 KB

english, 2001

24

Trigonometric Convex Underestimator for the Base Functions in Fourier Space

S. Caratzoulas, C. A. Floudas

Journal:

Journal of Optimization Theory and Applications

Year:

2005

Language:

english

File:

PDF, 177 KB

english, 2005

25

A perspective on the modeling of biomass processing

Guo, Na, Caratzoulas, Stavros, Doren, Douglas J., Sandler, Stanley I., Vlachos, Dionisios G.

Journal:

Energy & Environmental Science

Year:

2012

Language:

english

File:

PDF, 2.28 MB

english, 2012

26

Phase space path integrals in Monte Carlo quantum dynamics

Caratzoulas, Stavros, Pechukas, Philip

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 489 KB

english, 1996

27

ChemInform Abstract: Multiscale Modeling of Metal-Catalyzed Reactions: Mechanism Development for Complexity and Emergent Behavior

M. Salciccioli, M. Stamatakis, S. Caratzoulas, D. G. Vlachos

Journal:

Year:

2011

File:

PDF, 18 KB

2011

28

A First Principles-Based Microkinetic Model for the Conversion of Fructose to 5-Hydroxymethylfurfural

Nima Nikbin, Stavros Caratzoulas, Dionisios G. Vlachos

Journal:

Year:

2012

Language:

english

File:

PDF, 797 KB

english, 2012

29

On the Brønsted Acid-Catalyzed Homogeneous Hydrolysis of Furans

Nikbin, Nima, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Year:

2013

Language:

english

File:

PDF, 649 KB

english, 2013

30

Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

Zhuang, Zhongbin, Giles, Stephen A., Zheng, Jie, Jenness, Glen R., Caratzoulas, Stavros, Vlachos, Dionisios G., Yan, Yushan

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 1.19 MB

english, 2016

31

Catalysis of the Diels–Alder Reaction of Furan and Methyl Acrylate in Lewis Acidic Zeolites

Salavati-fard, Taha, Caratzoulas, Stavros, Lobo, Raul F., Doren, Douglas J.

Journal:

Year:

2017

Language:

english

File:

PDF, 570 KB

english, 2017

32

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

Patet, Ryan E., Koehle, Maura, Lobo, Raul F., Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.30 MB

english, 2017

33

Dehydra-Decyclization of Tetrahydrofuran on H-ZSM5: Mechanisms, Pathways, and Transition State Entropy

Li, Sha, Abdelrahman, Omar, Kumar, Gaurav, Tsapatsis, Michael, Vlachos, Dionisios G., Caratzoulas, Stavros, Dauenhauer, Paul J.

Journal:

Year:

2019

File:

PDF, 5.56 MB

2019

34

Origin of 5-Hydroxymethylfurfural Stability in Water/Dimethyl Sulfoxide Mixtures

Tsilomelekis, George, Josephson, Tyler R., Nikolakis, Vladimiros, Caratzoulas, Stavros

Journal:

Year:

2014

Language:

english

File:

PDF, 1.26 MB

english, 2014

35

Molecular Dynamics Study of the Stabilization of the Silica Hexamer Si 6 O 156- in Aqueous and Methanolic Solutions

Caratzoulas, S., Vlachos, D. G.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 70 KB

english, 2008

36

Converting fructose to 5-hydroxymethylfurfural: a quantum mechanics/molecular mechanics study of the mechanism and energetics

Stavros Caratzoulas, Dionisios G. Vlachos

Journal:

Carbohydrate Research

Year:

2011

Language:

english

File:

PDF, 774 KB

english, 2011

37

A DFT study of the acid-catalyzed conversion of 2,5-dimethylfuran and ethylene to p-xylene

Nima Nikbin, Phuong T. Do, Stavros Caratzoulas, Raul F. Lobo, Paul J. Dauenhauer, Dionisios G. Vlachos

Journal:

Journal of Catalysis

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

38

Critical analysis of the Colle-Salvetti model for electron correlation in closed shell systems: pair correlations

CARATZOULAS, S., KNOWLES, P. J.

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 1.03 MB

english, 2000

39

Insights into the isomerization of xylose to xylulose and lyxose by a Lewis acid catalyst

Choudhary, Vinit, Caratzoulas, Stavros, Vlachos, Dionisios G.

Journal:

Carbohydrate Research

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

40

ChemInform Abstract: The Modeling of Biomass Processing

Guo, Na, Caratzoulas, Stavros, Doren, Douglas J., Sandler, Stanley I., Vlachos, Dionisios G.

Journal:

Year:

2013

File:

PDF, 18 KB

2013

41

Global optimization in the 21st century: Advances and challenges

C.A. Floudas, I.G. Akrotirianakis, S. Caratzoulas, C.A. Meyer, J. Kallrath

Journal:

Computers & Chemical Engineering

Year:

2005

Language:

english

File:

PDF, 405 KB

english, 2005

42

Molecular Dynamics Studies on the Role of Tetramethylammonium Cations in the Stability of the Silica Octamers Si 8 in Solution

Caratzoulas, S., Vlachos, D. G., Tsapatsis, M.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 193 KB

english, 2005

43

Kinetic Regime Change in the Tandem Dehydrative Aromatization of Furan Diels–Alder Products

Patet, Ryan E., Nikbin, Nima, Williams, C. Luke, Green, Sara K., Chang, Chun-Chih, Fan, Wei, Caratzoulas, Stavros, Dauenhauer, Paul J., Vlachos, Dionisios G.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.05 MB

english, 2015

44

Eley–Rideal and hot-atom reaction dynamics of H(g) with H adsorbed on Cu(111)

Caratzoulas, Stavros, Jackson, Bret, Persson, Mats

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 600 KB

english, 1997

45

H-D Exchange of Simple Aromatics as a Measure of Brønsted-Acid Site Strengths in Solids

Wang, Cong, Li, Sha, Mao, Xinyu, Caratzoulas, Stavros, Gorte, Raymond J.

Journal:

Catalysis Letters

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

46

Design and synthesis of aryl-functionalized carbazole-based porous coordination cages

Rowland, Casey A., Lorzing, Gregory, Bhattacharjee, Rameswar, Caratzoulas, Stavros, Yap, Glenn, Bloch, Eric D

Journal:

Chemical Communications

Year:

2020

File:

PDF, 1.24 MB

2020

47

On the Role of Tetramethylammonium Cation and Effects of Solvent Dynamics on the Stability of the Cage-like Silicates Si 6 O 156- and Si 8 O 208- in Aqueous Solution. A Molecular Dynamics Study

Caratzoulas, Stavros, Vlachos, Dionisis G., Tsapatsis, Michael

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 370 KB

english, 2006

48

Inhibition of Xylene Isomerization in the Production of Renewable Aromatic Chemicals from Biomass-Derived Furans

Williams, C. Luke, Vinter, Katherine P., Patet, Ryan E., Chang, Chun-Chih, Nikbin, Nima, Feng, Shuting, Wiatrowski, Matthew R., Caratzoulas, Stavros, Fan, Wei, Vlachos, Dionisios G., Dauenhauer, Paul

Journal:

Year:

2016

Language:

english

File:

PDF, 3.28 MB

english, 2016

49

Adsorption in Zeolites Using Mechanically Embedded ONIOM Clusters

Patet, Ryan E, Caratzoulas, Stavros, Vlachos, Dion

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.73 MB

english, 2016

50

Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite

Josephson, Tyler Ray, DeJaco, Robert F., Pahari, Swagata, Ren, Limin, Guo, Qiang, Tsapatsis, Michael, Siepmann, J. Ilja, Vlachos, Dionisios G., Caratzoulas, Stavros

Journal:

Year:

2018

Language:

english

File:

PDF, 1.68 MB

english, 2018

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