Snurr, Randall Q : rechercher sur Z-Library

The Journal of Physical Chemistry Letters

Année:

2007

Langue:

english

Fichier:

PDF, 338 KB

english, 2007

Self-Diffusion of Chain Molecules in the Metal–Organic Framework IRMOF-1: Simulation and Experiment

Ford, Denise C., Dubbeldam, David, Snurr, Randall Q., Künzel, Volker, Wehring, Markus, Stallmach, Frank, Kärger, Jörg, Müller, Ulrich

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 2.06 MB

english, 2012

A facile synthesis of UiO-66, UiO-67 and their derivatives

Katz, Michael J., Brown, Zachary J., Colón, Yamil J., Siu, Paul W., Scheidt, Karl A., Snurr, Randall Q., Hupp, Joseph T., Farha, Omar K.

Journal:

Chemical Communications

Année:

2013

Langue:

english

Fichier:

PDF, 2.15 MB

english, 2013

High-Throughput Screening of Metal-Organic Frameworks for Hydrogen Storage at Cryogenic Temperature

Bobbitt, Nathaniel Scott, Chen, Jiayi, Snurr, Randall Q.

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 18.57 MB

english, 2016

Computational Study of Water Adsorption in the Hydrophobic Metal-Organic Framework ZIF-8: Adsorption Mechanism and Acceleration of the Simulations

Zhang, Hongda, Snurr, Randall Q.

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2017

Catalytic Descriptors and Electronic Properties of Single-Site Catalysts for Ethene Dimerization to 1-Butene

Pellizzeri, Steven, Barona, Melissa, Bernales, Varinia, Miró, Pere, Liao, Peilin, Gagliardi, Laura, Snurr, Randall Q., Getman, Rachel B.

Journal:

Catalysis Today

Année:

2018

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2018

Editorial overview: Frontiers of chemical engineering: Molecular modeling

Pfaendtner, Jim, Snurr, Randall Q, Van Speybroeck, Veronique

Journal:

Current Opinion in Chemical Engineering

Année:

2019

Langue:

english

Fichier:

PDF, 160 KB

english, 2019

Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites

Gopalan, Arun, Bucior, Benjamin J., Bobbitt, N. Scott, Snurr, Randall Q.

Journal:

Molecular Physics

Année:

2019

Langue:

english

Fichier:

PDF, 27.85 MB

english, 2019

Computational Screening of MOF-Supported Single-Atom Transition Metal Catalysts for the Gas-Phase Hydrolysis of Nerve Agents

Mendonca, Matthew L., Snurr, Randall Q.

Journal:

ACS Catalysis

Année:

2019

Fichier:

PDF, 5.02 MB

2019

Isothermal Titration Calorimetry to Explore the Parameter Space of Organophosphorus Agrochemical Adsorption in MOFs

Drout, Riki J., Kato, Satoshi, Chen, Haoyuan, Son, Florencia A., Otake, Ken-ichi, Islamoglu, Timur, Snurr, Randall Q., Farha, Omar K.

Journal:

Simón E. Albo, Linda J. Broadbelt, Randall Q. Snurr

Année:

2020

Fichier:

PDF, 2.42 MB

2020

Multiscale modeling of transport and residence times in nanostructured membranes

Journal:

Prof. Youn-Sang Bae, Prof. Randall Q. Snurr

Année:

2006

Langue:

english

Fichier:

PDF, 253 KB

english, 2006

Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture

Journal:

Journal of Sound and Vibration

Année:

2011

Langue:

english

Fichier:

PDF, 1.00 MB

english, 2011

Construction and characterization of a particle-based thrust damping system

Binoy M. Shah, Davy Pillet, Xian-Ming Bai, Leon M. Keer, Q. Jane Wang, Randall Q. Snurr

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 782 KB

english, 2009

De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities

Farha, Omar K., Özgür Yazaydın, A., Eryazici, Ibrahim, Malliakas, Christos D., Hauser, Brad G., Kanatzidis, Mercouri G., Nguyen, SonBinh T., Snurr, Randall Q., Hupp, Joseph T.

Journal:

Nature Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 2.49 MB

english, 2010

Nanoporous Carbohydrate Metal–Organic Frameworks

Forgan, Ross S., Smaldone, Ronald A., Gassensmith, Jeremiah J., Furukawa, Hiroyasu, Cordes, David B., Li, Qiaowei, Wilmer, Christopher E., Botros, Youssry Y., Snurr, Randall Q., Slawin, Alexandra M. Z

Journal:

Yu, Decai, Yazaydin, A. Ozgur, Lane, Joseph R., Dietzel, Pascal D. C., Snurr, Randall Q.

Année:

2012

Langue:

english

Fichier:

PDF, 831 KB

english, 2012

A combined experimental and quantum chemical study of CO2 adsorption in the metal–organic framework CPO-27 with different metals

Journal:

Chemical Science

Année:

2013

Langue:

english

Fichier:

PDF, 989 KB

english, 2013

High xenon/krypton selectivity in a metal-organic framework with small pores and strong adsorption sites

Bae, Youn-Sang, Hauser, Brad G., Colón, Yamil J., Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q.

Journal:

Ghosh, Pritha, Colón, Yamil J., Snurr, Randall Q.

Année:

2013

Langue:

english

Fichier:

PDF, 553 KB

english, 2013

Water adsorption in UiO-66: the importance of defects

Journal:

Chemical Communications

Année:

2014

Langue:

english

Fichier:

PDF, 697 KB

english, 2014

Isoreticular Series of (3,24)-Connected Metal–Organic Frameworks: Facile Synthesis and High Methane Uptake Properties

Barin, Gokhan, Krungleviciute, Vaiva, Gomez-Gualdron, Diego A., Sarjeant, Amy A., Snurr, Randall Q., Hupp, Joseph T., Yildirim, Taner, Farha, Omar K.

Journal:

Chemistry of Materials

Année:

2014

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2014

Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory

Wang, Timothy C., Bury, Wojciech, Gómez-Gualdrón, Diego A., Vermeulen, Nicolaas A., Mondloch, Joseph E., Deria, Pravas, Zhang, Kainan, Moghadam, Peyman Z., Sarjeant, Amy A., Snurr, Randall Q., Stoddar

Journal:

Gomez-Gualdron, Diego A, Moghadam, Peyman Z., Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q.

Année:

2015

Langue:

english

Fichier:

PDF, 949 KB

english, 2015

On the application of consistency criteria to calculate BET areas of micro- and mesoporous metal-organic frameworks

Journal:

Hartlieb, Karel J., Holcroft, James M., Moghadam, Peyman Z., Vermeulen, Nicolaas A., Algaradah, Mohammed M., Nassar, Majed S., Botros, Youssry Y., Snurr, Randall Q., Stoddart, J. Fraser

Année:

2015

Langue:

english

Fichier:

PDF, 1.91 MB

english, 2015

CD-MOF: A Versatile Separation Medium

Journal:

Snurr, Randall Q, Adjiman, Claire S., Kofke, David A.

Année:

2016

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2016

[Molecular Modeling and Simulation] Foundations of Molecular Modeling and Simulation || Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads

Année:

2016

Langue:

english

Fichier:

PDF, 361 KB

english, 2016

High-throughput Screening of Metal-Organic Frameworks for CO2 Capture in the Presence of Water

Li, Song, Chung, Yongchul Gregory, Snurr, Randall Q.

Journal:

Langmuir

Année:

2016

Langue:

english

Fichier:

PDF, 4.22 MB

english, 2016

G-quadruplex organic frameworks

Wu, Yi-Lin, Horwitz, Noah E., Chen, Kan-Sheng, Gomez-Gualdron, Diego A., Luu, Norman S., Ma, Lin, Wang, Timothy C., Hersam, Mark C., Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q., Wasielewski, Mi

Journal:

Nature Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2016

Understanding Volumetric and Gravimetric Hydrogen Adsorption Trade-off in Metal–Organic Frameworks

Gómez-Gualdrón, Diego A., Wang, Timothy C., García-Holley, Paula, Sawelewa, Ruth M., Argueta, Edwin, Snurr, Randall Q., Hupp, Joseph T., Yildirim, Taner, Farha, Omar K.

Journal:

ACS Applied Materials & Interfaces

Année:

2017

Langue:

english

Fichier:

PDF, 4.86 MB

english, 2017

Computer-Aided Search for Materials to Store Natural Gas for Vehicles

Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Snurr, Randall Q., Smit, Berend

Journal:

Frontiers for Young Minds

Année:

2015

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2015

Elucidating the mechanism of the UiO-66-catalyzed sulfide oxidation: activity and selectivity enhancements through changes in the node coordination environment and solvent

Limvorapitux, Rungmai, Chen, Haoyuan, Mendonca, Matthew L., Liu, Mengtan, Snurr, Randall Q., Nguyen, SonBinh T.

Journal:

Catalysis Science & Technology

Année:

2019

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2019

Interplay of Lewis and Brønsted Acid Sites in Zr-Based Metal–Organic Frameworks for Efficient Esterification of Biomass-Derived Levulinic Acid

Wang, Fenfen, Chen, Zhijie, Chen, Haoyuan, Goetjen, Timothy A., Li, Peng, Wang, Xingjie, Alayoglu, Selim, Ma, Kaikai, Chen, Yongwei, Wang, Tiejun, Islamoglu, Timur, Fang, Yanxiong, Snurr, Randall Q.,

Journal:

ACS Applied Materials & Interfaces

Année:

2019

Langue:

english

Fichier:

PDF, 2.33 MB

english, 2019

Process-level modelling and optimization to evaluate metalâorganic frameworks for post-combustion capture of CO 2

Yancy-Caballero, Daison, Leperi, Karson T., Bucior, Benjamin J., Richardson, Rachelle K., Islamoglu, Timur, Farha, Omar K., You, Fengqi, Snurr, Randall Q.

Journal:

Mol. Syst. Des. Eng.

Année:

2020

Fichier:

PDF, 2.18 MB

2020

Molecular modeling of binary liquid-phase adsorption of aromatics in silicalite

Shaji Chempath, Randall Q. Snurr, John J. Low

Journal:

Randall Q. Snurr, Joseph T. Hupp, SonBinh T. Nguyen

Année:

2004

Langue:

english

Fichier:

PDF, 181 KB

english, 2004

Prospects for nanoporous metal-organic materials in advanced separations processes

Journal:

Kenneth F. Czaplewski, Randall Q. Snurr

Année:

2004

Langue:

english

Fichier:

PDF, 163 KB

english, 2004

Hierarchical approach for simulation of binary adsorption in silicalite

Journal:

Martin J. Sanborn, Randall Q. Snurr

Année:

1999

Langue:

english

Fichier:

PDF, 4.56 MB

english, 1999

Predicting membrane flux of CH4 and CF4 mixtures in Faujasite from molecular simulations

Journal:

David Dubbeldam, Krista S. Walton, Donald E. Ellis, Randall Q. Snurr

Année:

2001

Langue:

english

Fichier:

PDF, 210 KB

english, 2001

Molecular Modeling Techniques in Material Sciences. Von Jörg-Rüdiger Hill, Lalitha Subramanian und Amitesh Maiti.

Randall Q. Snurr

Journal:

Angewandte Chemie

Année:

2006

Langue:

german

Fichier:

PDF, 194 KB

german, 2006

Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

Journal:

Angewandte Chemie

Année:

2007

Langue:

english

Fichier:

PDF, 335 KB

english, 2007

Poröse Materialien zur CO2-Abtrennung und -Abscheidung – Entwicklung und Bewertung

Prof. Youn-Sang Bae, Prof. Randall Q. Snurr

Journal:

Angewandte Chemie

Année:

2011

Langue:

german

Fichier:

PDF, 1.07 MB

german, 2011

Molecular Modeling Techniques in Material Sciences. By Jörg-Rüdiger Hill, Lalitha Subramanian and Amitesh Maiti.

Randall Q. Snurr

Journal:

David Dubbeldam, Krista S. Walton, Donald E. Ellis, Randall Q. Snurr

Année:

2006

Langue:

english

Fichier:

PDF, 193 KB

english, 2006

Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

Journal:

Prof. Youn-Sang Bae, Dr. Chang Yeon Lee, Dr. Ki Chul Kim, Prof. Omar K. Farha, Dr. Peter Nickias, Prof. Joseph T. Hupp, Prof. SonBinh T. Nguyen, Prof. Randall Q. Snurr

Année:

2007

Langue:

english

Fichier:

PDF, 335 KB

english, 2007

High Propene/Propane Selectivity in Isostructural Metal–Organic Frameworks with High Densities of Open Metal Sites

Journal:

Scott A. McMillan, Randall Q. Snurr, Linda J. Broadbelt

Année:

2012

Langue:

english

Fichier:

PDF, 818 KB

english, 2012

Interaction of divalent metal cations with ferrierite: insights from density functional theory

Journal:

Chen E. Ramachandran, Shaji Chempath, Linda J. Broadbelt, Randall Q. Snurr

Année:

2004

Langue:

english

Fichier:

PDF, 489 KB

english, 2004

Water adsorption in hydrophobic nanopores: Monte Carlo simulations of water in silicalite

Journal:

S. Mardônio P. Lucena, Randall Q. Snurr, Célio L. Cavalcante Jr.

Année:

2006

Langue:

english

Fichier:

PDF, 428 KB

english, 2006

Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

Journal:

S. Mardônio P. Lucena, Randall Q. Snurr, Célio L. Cavalcante Jr.

Année:

2008

Langue:

english

Fichier:

PDF, 460 KB

english, 2008

Effect of framework distortion on xylene adsorption in AlPO4-11 predicted from Monte Carlo simulations

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 530 KB

english, 2010

Enhancement of CO2/CH4 selectivity in metal-organic frameworks containing lithium cations

Youn-Sang Bae, Brad G. Hauser, Omar K. Farha, Joseph T. Hupp, Randall Q. Snurr

Journal: