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1

Molecular models and simulations of layered materials

Cygan, Randall T., Greathouse, Jeffery A., Heinz, Hendrik, Kalinichev, Andrey G.

Journal:

Journal of Materials Chemistry

Year:

2009

Language:

english

File:

PDF, 1.99 MB

english, 2009

2

Group Theory Calculations Involving Linear Molecules

Jeffery A. Greathouse

Journal:

The Chemical Educator

Year:

1996

Language:

english

File:

PDF, 128 KB

english, 1996

3

Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials

Scott T. Meek, Jeffery A. Greathouse, Mark D. Allendorf

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 1.48 MB

english, 2011

4

Molecular Dynamics Simulation of Water Mobility in Magnesium-Smectite Hydrates

Greathouse, Jeffery A., Refson, Keith, Sposito, Garrison

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 130 KB

english, 2000

5

The Interaction of Water with MOF-5 Simulated by Molecular Dynamics

Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 112 KB

english, 2006

6

Monte Carlo and Molecular Dynamics Studies of Interlayer Structure in Li(H 2 O) 3 −Smectites

Greathouse, Jeffery, Sposito, Garrison

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 232 KB

english, 1998

7

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

Teich-McGoldrick, Stephanie L., Greathouse, Jeffery A., Jové-Colón, Carlos F., Cygan, Randall T.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 8.65 MB

english, 2015

8

Synthesis and Characterization of Thallium-Salen Derivatives for use as Underground Fluid Flow Tracers

Boyle, Timothy J, Perales, Diana, Rimsza, Jessica, Alam, Todd M, Boye, Daniel M., Sears, Jeremiah M, Greathouse, Jeffery, Kemp, Richard

Journal:

Dalton Transactions

Year:

2018

Language:

english

File:

PDF, 1.79 MB

english, 2018

9

Revealing Transition States during the Hydration of Clay Minerals

Ho, Tuan A., Criscenti, Louise J., Greathouse, Jeffery A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

Language:

english

File:

PDF, 4.92 MB

english, 2019

10

Metal-Organic Frameworks: Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials (Adv. Mater. 2/2011)

Scott T. Meek, Jeffery A. Greathouse, Mark D. Allendorf

Journal:

Advanced Materials

Year:

2011

File:

PDF, 2.86 MB

2011

11

Counterion Adsorption Effects on the Swelling Pressure in Clays

Jeffery A. Greathouse, Donald A. McQuarrie

Journal:

Journal of Colloid and Interface Science

Year:

1995

File:

PDF, 328 KB

1995

12

Conventional Hypernetted Chain Force Calculations for Charged Plates with Adsorbing Counterions

Jeffery A. Greathouse, Donald A. McQuarrie

Journal:

Journal of Colloid and Interface Science

Year:

1996

Language:

english

File:

PDF, 144 KB

english, 1996

13

Complete Series of Monohalogenated Isoreticular Metal–Organic Frameworks: Synthesis and the Importance of Activation Method

Meek, Scott T., Perry, John J., Teich-McGoldrick, Stephanie L., Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

Crystal Growth & Design

Year:

2011

Language:

english

File:

PDF, 2.38 MB

english, 2011

14

Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8

Sava, Dorina F., Rodriguez, Mark A., Chapman, Karena W., Chupas, Peter J., Greathouse, Jeffery A., Crozier, Paul S., Nenoff, Tina M.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 2.03 MB

english, 2011

15

Grand Canonical Monte Carlo Simulation of Low-Pressure Methane Adsorption in Nanoporous Framework Materials for Sensing Applications

Zeitler, Todd R., Allendorf, Mark D., Greathouse, Jeffery A.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.60 MB

english, 2012

16

Vibrational Spectra of Methane Clathrate Hydrates from Molecular Dynamics Simulation

Greathouse, Jeffery A., Cygan, Randall T., Simmons, Blake A.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 77 KB

english, 2006

17

Spreadsheet Applications in Chemistry Using Microsoft Excel (Diamond, Dermot; Hanratty, Venita C. A.)

Greathouse, Jeffery A.

Journal:

Journal of Chemical Education

Year:

1997

Language:

english

File:

PDF, 44 KB

english, 1997

18

Calcium hydration on montmorillonite clay surfaces studied by Monte Carlo simulation

Greathouse, Jeffery A., Storm, Erik W.

Journal:

Molecular Simulation

Year:

2002

Language:

english

File:

PDF, 346 KB

english, 2002

19

Alcohol and Thiol Adsorption on (Oxy)hydroxide and Carbon Surfaces: Molecular Dynamics Simulation and Desorption Experiments

Greathouse, Jeffery A., Hart, David B., Ochs, Margaret E.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.33 MB

english, 2012

20

Molecular Dynamics Simulations of Structural and Mechanical Properties of Muscovite: Pressure and Temperature Effects

Teich-McGoldrick, Stephanie L., Greathouse, Jeffery A., Cygan, Randall T.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.54 MB

english, 2012

21

Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations

Greathouse, Jeffery A., Cygan, Randall T.

Journal:

Environmental Science & Technology

Year:

2006

Language:

english

File:

PDF, 333 KB

english, 2006

22

Molecular Dynamics Study of Aqueous Uranyl Interactions with Quartz (010)

Greathouse, Jeffery A., O'Brien, Robert J., Bemis, Gregory, Pabalan, Roberto T.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 707 KB

english, 2002

23

Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions

Van Heest, Timothy, Teich-McGoldrick, Stephanie L., Greathouse, Jeffery A., Allendorf, Mark D., Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.37 MB

english, 2012

24

Monte Carlo and Molecular Dynamics Simulation of Uranyl Adsorption on Montmorillonite Clay

Zaidan, Omar F., Greathouse, Jeffery A., Pabalan, Roberto T.

Journal:

Clays and Clay Minerals

Year:

2003

Language:

english

File:

PDF, 797 KB

english, 2003

25

Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology

Parkes, Marie V., Staiger, Chad L., Perry IV, John J., Allendorf, Mark D., Greathouse, Jeffery A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.31 MB

english, 2013

26

Competitive I 2 Sorption by Cu-BTC from Humid Gas Streams

Sava, Dorina F., Chapman, Karena W., Rodriguez, Mark A., Greathouse, Jeffery A., Crozier, Paul S., Zhao, Haiyan, Chupas, Peter J., Nenoff, Tina M.

Journal:

Chemistry of Materials

Year:

2013

Language:

english

File:

PDF, 380 KB

english, 2013

27

Adsorption and Separation of Noble Gases by IRMOF-1: Grand Canonical Monte Carlo Simulations

Greathouse, Jeffery A., Kinnibrugh, Tiffany L., Allendorf, Mark D.

Journal:

Industrial & Engineering Chemistry Research

Year:

2009

Language:

english

File:

PDF, 355 KB

english, 2009

28

Ultrasensitive Humidity Detection Using Metal–Organic Framework-Coated Microsensors

Robinson, Alex L., Stavila, Vitalie, Zeitler, Todd R., White, Michael I., Thornberg, Steven M., Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

Analytical Chemistry

Year:

2012

Language:

english

File:

PDF, 2.84 MB

english, 2012

29

Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal–Organic Frameworks

Meek, Scott T., Teich-McGoldrick, Stephanie L., Perry, John J., Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.88 MB

english, 2012

30

Molecular dynamics simulation of uranyl(vi) adsorption equilibria onto an external montmorillonite surface

Greathouse, Jeffery A., Cygan, Randall T.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1.07 MB

english, 2005

31

Electron–ion coupling effects on simulations of radiation damage in pyrochlore waste forms

Ismail, Ahmed E, Greathouse, Jeffery A, Crozier, Paul S, Foiles, Stephen M

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 710 KB

english, 2010

32

Noble Gas Adsorption in Metal–Organic Frameworks Containing Open Metal Sites

Perry, John J., Teich-McGoldrick, Stephanie L., Meek, Scott T., Greathouse, Jeffery A., Haranczyk, Maciej, Allendorf, Mark D.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 5.21 MB

english, 2014

33

The Interaction of Water with MOF-5 Simulated by Molecular Dynamics [ J. Am. Chem. Soc. 2006 , 128 , 10678−10679].

Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 39 KB

english, 2006

34

Surface Geochemistry of the Clay Minerals

Garrison Sposito, Neal T. Skipper, Rebecca Sutton, Sung-ho Park, Alan K. Soper and Jeffery A. Greathouse

Journal:

Proceedings of the National Academy of Sciences

Year:

1999

Language:

english

File:

PDF, 1.88 MB

english, 1999

35

Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite

Teich-McGoldrick, Stephanie L., Greathouse, Jeffery A., Cygan, Randall T.

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 446 KB

english, 2014

36

Nanoconfined Water in Magnesium-Rich 2:1 Phyllosilicates

Ockwig, Nathan W., Greathouse, Jeffery A., Durkin, Justin S., Cygan, Randall T., Daemen, Luke L., Nenoff, Tina M.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 2.58 MB

english, 2009

37

The Modified Gouy-Chapman Theory: Comparisons between Electrical Double Layer Models of Clay Swelling

Greathouse, Jeffery A., Feller, Scott E., McQuarrie, Donald A.

Journal:

Year:

1994

Language:

english

File:

PDF, 759 KB

english, 1994

38

Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces

Zeitler, Todd R., Greathouse, Jeffery A., Gale, Julian D., Cygan, Randall T.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.36 MB

english, 2014

39

Excel for Chemists: A Comprehensive Guide (Billo, E. Joseph)

Greathouse, Jeffery A.

Journal:

Journal of Chemical Education

Year:

2000

Language:

english

File:

PDF, 12 KB

english, 2000

40

Metal−Organic Frameworks As Templates for Nanoscale NaAlH 4

Bhakta, Raghunandan K., Herberg, Julie L., Jacobs, Benjamin, Highley, Aaron, Behrens, Richard, Ockwig, Nathan W., Greathouse, Jeffery A., Allendorf, Mark D.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 345 KB

english, 2009

41

Computational screening of metal–organic frameworks for large-molecule chemical sensing

Greathouse, Jeffery A., Ockwig, Nathan W., Criscenti, Louise J., Guilinger, T. R., Pohl, Phil, Allendorf, Mark D.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.45 MB

english, 2010

42

Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates

Greathouse, Jeffery A., Durkin, Justin S., Larentzos, James P., Cygan, Randall T.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 762 KB

english, 2009

43

Predicting Low-Pressure O 2 Adsorption in Nanoporous Framework Materials for Sensing Applications

Zeitler, Todd R., Van Heest, Timothy, Sholl, David S., Allendorf, Mark D., Greathouse, Jeffery A.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.61 MB

english, 2013

44

Enhanced O 2 Selectivity versus N 2 by Partial Metal Substitution in Cu-BTC

Sava Gallis, Dorina F., Parkes, Marie V., Greathouse, Jeffery A., Zhang, Xiaoyi, Nenoff, Tina M.

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 584 KB

english, 2015

45

Effect of Metal in M 3 (btc) 2 and M 2 (dobdc) MOFs for O 2 /N 2 Separations: A Combined Density Functional Theory and Experimental Study

Parkes, Marie V., Sava Gallis, Dorina F., Greathouse, Jeffery A., Nenoff, Tina M.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.42 MB

english, 2015

46

Uranyl surface complexes in a mixed-charge montmorillonite: Monte Carlo computer simulation and polarized XAFS results

Greathouse, Jeffery A., Stellalevinsohn, Hannah R., Denecke, Melissa A., Bauer, Andreas, Pabalan, Roberto T.

Journal:

Clays and Clay Minerals

Year:

2005

Language:

english

File:

PDF, 604 KB

english, 2005

47

Molecular simulation of size-selective gas adsorption in idealised carbon nanotubes

Greathouse, Jeffery A., Teich-McGoldrick, Stephanie L., Allendorf, Mark D.

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 544 KB

english, 2015

48

Molecular Simulation of Structure and Diffusion at Smectite–Water Interfaces: Using Expanded Clay Interlayers as Model Nanopores

Greathouse, Jeffery A., Hart, David B., Bowers, Geoffrey M., Kirkpatrick, R. James, Cygan, Randall T.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.13 MB

english, 2015

49

Ion Adsorption in the Electrical Double Layer: Variational Solution to the Hypernetted Chain Equations

Greathouse, Jeffery A., McQuarrie, Donald A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 327 KB

english, 1996

50

Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale

Greathouse, Jeffery, Johnson, Karen, Greenwell, H.

Journal:

Year:

2014

Language:

english

File:

PDF, 926 KB

english, 2014