David J Keffer: search on Z-Library

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1

A compendium of potential energy maps of zeolites and molecular sieves

D. Keffer, Vishwas Gupta, David Kim, Elizabeth Lenz, H. Ted Davis, Alon V. McCormick

Journal:

Journal of Molecular Graphics

Year:

1996

Language:

english

File:

PDF, 955 KB

english, 1996

2

A Molecular Dynamics Study of a Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport

Cui, Shengting, Liu, Junwu, Selvan, Myvizhi Esai, Keffer, David J., Edwards, Brian J., Steele, William V.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 1.57 MB

english, 2007

3

Competitive adsorption of CO2/CH4 mixture on dry and wet coal from subcritical to supercritical conditions

Lee, Hyeon-Hui, Kim, Hae-Jung, Shi, Yao, Keffer, David, Lee, Chang-Ha

Journal:

Chemical Engineering Journal

Year:

2013

Language:

english

File:

PDF, 1.22 MB

english, 2013

4

Measuring Coexisting Densities from a Two-Phase Molecular Dynamics Simulation by Voronoi Tessellations

Fern, Jared T., Keffer, David J., Steele, William V.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 435 KB

english, 2007

5

Vapor−Liquid Equilibrium of Ethanol by Molecular Dynamics Simulation and Voronoi Tessellation

Fern, Jared T., Keffer, David J., Steele, William V.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 568 KB

english, 2007

6

Hierarchical Model for the Analysis of Scattering Data of Complex Materials

Akinola Oyedele,Nicholas W. Mcnutt,Orlando Rios,David J. Keffer

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

7

Elucidating nano and meso-structures of lignin carbon composites: A comprehensive study of feedstock and temperature dependence

GarcÃa-NegrÃ³n, Valerie, Kizzire, Dayton G., Rios, Orlando, Keffer, David J., Harper, David P.

Journal:

Year:

2020

File:

PDF, 13.15 MB

2020

8

The composition dependence of self and transport diffusivities from molecular dynamics simulations

David J. Keffer, Parag Adhangale

Journal:

Chemical Engineering Journal

Year:

2004

Language:

english

File:

PDF, 244 KB

english, 2004

9

Determination of statistically reliable transport diffusivities from molecular dynamics simulation

David J Keffer, Brian J Edwards, Parag Adhangale

Journal:

Journal of Non-Newtonian Fluid Mechanics

Year:

2004

Language:

english

File:

PDF, 230 KB

english, 2004

10

A multiscale modeling demonstration based on the pair correlation function

Carrie Y. Gao, Donald M. Nicholson, David J. Keffer, Brian J. Edwards

Journal:

Journal of Non-Newtonian Fluid Mechanics

Year:

2008

Language:

english

File:

PDF, 416 KB

english, 2008

11

A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble

David J. Keffer, Chunggi Baig, Parag Adhangale, Brian J. Edwards

Journal:

Journal of Non-Newtonian Fluid Mechanics

Year:

2008

Language:

english

File:

PDF, 282 KB

english, 2008

12

Evaluation of functionalized isoreticular metal organic frameworks (IRMOFs) as smart nanoporous preconcentrators of RDX

Ruichang Xiong, Khorgolkhuu Odbadrakh, Andrea Michalkova, Johnathan P. Luna, Tetyana Petrova, David J. Keffer, Donald M. Nicholson, Miguel A. Fuentes-Cabrera, James P. Lewis, Jerzy Leszczynski

Journal:

Sensors and Actuators B: Chemical

Year:

2010

Language:

english

File:

PDF, 472 KB

english, 2010

13

A comparison between entropies of aromatic compounds from quantum mechanical calculations and experiment

Mohamad H. Kassaee, David J. Keffer, William V. Steele

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 196 KB

english, 2007

14

A molecular dynamics study of the stress–optical behavior of a linear short-chain polyethylene melt under shear

Chunggi Baig, Brian J. Edwards, David J. Keffer

Journal:

Rheologica Acta

Year:

2007

Language:

english

File:

PDF, 465 KB

english, 2007

15

Estimation and analysis of the rheological properties of a perfluoropolyether through molecular dynamics simulation

Bangwu Jiang, David J. Keffer, Brian J. Edwards

Journal:

Journal of Fluorine Chemistry

Year:

2006

Language:

english

File:

PDF, 555 KB

english, 2006

16

Atomistic and Coarse-Grained Molecular Dynamics Simulation of a Cross-Linked Sulfonated Poly(1,3-cyclohexadiene)-Based Proton Exchange Membrane

Wang, Qifei, Suraweera, Nethika S., Keffer, David J., Deng, Suxiang, Mays, Jimmy

Journal:

Year:

2012

Language:

english

File:

PDF, 2.71 MB

english, 2012

17

Multi-scale models for cross-linked sulfonated poly (1, 3-cyclohexadiene) polymer

Qifei Wang, David J. Keffer, Suxiang Deng, Jimmy Mays

Journal:

Year:

2012

Language:

english

File:

PDF, 1.89 MB

english, 2012

18

Effects of repeated electrical defibrillations on cardiac troponin I levels

Jose A Joglar, David J Kessler, Patrick J Welch, Joseph H Keffer, Michael E Jessen, Mohamed H Hamdan, Richard L Page

Journal:

The American Journal of Cardiology

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

19

An analytical theory for diffusion of fluids in crystalline nanoporous materials

KAMAT, MITHUN, KEFFER, DAVID

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 1.07 MB

english, 2003

20

Toward a Predictive Understanding of Water and Charge Transport in Proton Exchange Membranes

Esai Selvan, Myvizhi, Calvo-Muñoz, Elisa, Keffer, David J.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.00 MB

english, 2011

21

Self-Consistent Multiscale Modeling in the Presence of Inhomogeneous Fields

Xiong, Ruichang, Empting, Rebecca L., Morris, Ian C., Keffer, David J.

Journal:

Multiscale Modeling and Simulation

Year:

2009

Language:

english

File:

PDF, 515 KB

english, 2009

22

Molecular simulations of adsorption and diffusion of RDX in IRMOF-1

Xiong, Ruichang, Fern, Jared T., Keffer, David J., Fuentes-Cabrera, Miguel, Nicholson, Donald M.

Journal:

Molecular Simulation

Year:

2009

Language:

english

File:

PDF, 993 KB

english, 2009

23

A Reactive Molecular Dynamics Algorithm for Proton Transport in Aqueous Systems

Selvan, Myvizhi Esai, Keffer, David J., Cui, Shengting, Paddison, Stephen J.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.75 MB

english, 2010

24

Kinetics of Methane Hydrate Decomposition Studied via in Situ Low Temperature X-ray Powder Diffraction

Everett, S. Michelle, Rawn, Claudia J., Keffer, David J., Mull, Derek L., Payzant, E. Andrew, Phelps, Tommy J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

25

Structure and proton transport in proton exchange membranes based on cross-linked sulfonated poly (1, 3-cyclohexadiene) with varying local acid environment

Wang, Qifei, Keffer, David J., Deng, Suxiang, Mays, Jimmy

Journal:

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

26

Structure and Diffusion in Cross-Linked and Sulfonated Poly(1,3-cyclohexadiene)/Polyethylene Glycol-Based Proton Exchange Membranes

Wang, Qifei, Keffer, David J., Deng, Suxiang, Mays, Jimmy

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.48 MB

english, 2013

27

On the Relationship between Polymer Electrolyte Structure and Hydrated Morphology of Perfluorosulfonic Acid Membranes

Liu, Junwu, Suraweera, Nethika, Keffer, David J., Cui, Shengting, Paddison, Stephen J.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.79 MB

english, 2010

28

Intrinsic relationships between proton conductivity and nanopore size and functionalization

McDonnell, Marshall T., Keffer, David J.

Journal:

Microporous and Mesoporous Materials

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

29

Nanoparticle adhesion in proton exchange membrane fuel cell electrodes

He, Qianping, Joy, David C., Keffer, David J.

Journal:

Journal of Power Sources

Year:

2013

Language:

english

File:

PDF, 2.57 MB

english, 2013

30

Molecular Dynamic Simulations of the Effect on the Hydration of Nafion in the Presence of a Platinum Nanoparticle

Selvan, Myvizhi Esai, He, Qianping, Calvo-Muñoz, Elisa M., Keffer, David J.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 6.52 MB

english, 2012

31

Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

Wang, Qifei, Keffer, David J., Petrovan, Simioan, Thomas, J. Brock

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.97 MB

english, 2010

32

Impact of oxidation on nanoparticle adhesion to carbon substrates

He, Qianping, Joy, David C., Keffer, David J.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

33

Structure of the Ionomer Film in Catalyst Layers of Proton Exchange Membrane Fuel Cells

He, Qianping, Suraweera, Nethika S., Joy, David C., Keffer, David J.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 610 KB

english, 2013

34

Rotating Phenyl Rings as a Guest-Dependent Switch in Two-Dimensional Metal–Organic Frameworks

Murdock, Christopher R., McNutt, Nicholas W., Keffer, David J., Jenkins, David M.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 561 KB

english, 2014

35

Methane and carbon dioxide adsorption and diffusion in amorphous, metal-decorated nanoporous silica

Suraweera, Nethika S., Albert, Austin A., Peretich, Michael E., Abbott, Joshua, Humble, James R., Barnes, Craig E., Keffer, David J.

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 501 KB

english, 2014

36

Molecular simulations of H2 adsorption in metal-porphyrin frameworks: A potential new material evaluation

Xiong, Ruichang, Keffer, David J.

Journal:

Journal of Renewable and Sustainable Energy

Year:

2011

Language:

english

File:

PDF, 3.03 MB

english, 2011

37

Hydrogen adsorption and diffusion in amorphous, metal-decorated nanoporous silica

Suraweera, Nethika S., Albert, Austin A., Humble, James R., Barnes, Craig E., Keffer, David J.

Journal:

International Journal of Hydrogen Energy

Year:

2014

Language:

english

File:

PDF, 2.56 MB

english, 2014

38

On the Relationship between Fickian Diffusivities at the Continuum and Molecular Levels

Keffer, David J., Gao, Carrie Y., Edwards, Brian J.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 163 KB

english, 2005

39

Effect of Charge Distribution on RDX Adsorption in IRMOF-10

Xiong, Ruichang, Keffer, David J., Fuentes-Cabrera, Miguel, Nicholson, Donald M., Michalkova, Andrea, Petrova, Tetyana, Leszczynski, Jerzy, Odbadrakh, Khorgolkhuu, Doss, Bryant L., Lewis, James P.

Journal:

Year:

2010

Language:

english

File:

PDF, 2.70 MB

english, 2010

40

Surfactant and Electric Field Strength Effects on Surface Tension at Liquid/Liquid/Solid Interfaces

Santiago, Johanna M., Keffer, David J., Counce, Robert M.

Journal:

Year:

2006

Language:

english

File:

PDF, 279 KB

english, 2006

41

Theoretical Calculation of Thermodynamic Properties of Naphthalene, Methylnaphthalenes, and Dimethylnaphthalenes

Kassaee, Mohamad H., Keffer, David J., Steele, William V.

Journal:

Journal of Chemical & Engineering Data

Year:

2007

Language:

english

File:

PDF, 251 KB

english, 2007

42

Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions

Wang, Qifei, Keffer, David J., Nicholson, Donald M., Thomas, J. Brock

Journal:

Physical Review E

Year:

2010

Language:

english

File:

PDF, 561 KB

english, 2010

43

Comparison of the Hydration and Diffusion of Protons in Perfluorosulfonic Acid Membranes with Molecular Dynamics Simulations

Cui, Shengting, Liu, Junwu, Selvan, Myvizhi Esai, Paddison, Stephen J., Keffer, David J., Edwards, Brian J.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 2.77 MB

english, 2008

44

A Reactive Molecular Dynamics Study of the Thermal Decomposition of Perfluorodimethyl Ether †

Jiang, Bangwu, Selvan, Myvizhi Esai, Keffer, David J., Edwards, Brian J.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.31 MB

english, 2009

45

Effects of ultramicroelectrode dimensions on the electropolymerization of polypyrrole

Fletcher, Benjamin L., Fern, Jared T., Rhodes, Kevin, McKnight, Timothy E., Fowlkes, Jason D., Retterer, Scott T., Keffer, David J., Simpson, Michael L., Doktycz, Mitchel J.

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 358 KB

english, 2009

46

On the relationship between the structure of metal–organic frameworks and the adsorption and diffusion of hydrogen

Suraweera, Nethika S., Xiong, Ruichang, Luna, J. P., Nicholson, Donald M., Keffer, David J.

Journal:

Molecular Simulation

Year:

2011

Language:

english

File:

PDF, 809 KB

english, 2011

47

Conversion of Lignin Precursors to Carbon Fibers with Nanoscale Graphitic Domains

Chatterjee, Sabornie, Jones, Eric B., Clingenpeel, Amy C., McKenna, Amy M., Rios, Orlando, McNutt, Nicholas W., Keffer, David J., Johs, Alexander

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2014

Language:

english

File:

PDF, 1.78 MB

english, 2014

48

Reactive Molecular Dynamics Study of Proton Transport in Polymer Electrolyte Membranes

Selvan, Myvizhi Esai, Keffer, David J., Cui, Shengting

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

49

A Grand Canonical Monte Carlo Study of the Adsorption of Methane, Ethane, and Their Mixtures in One-Dimensional Nanoporous Materials

Adhangale, Parag, Keffer, David

Journal:

Year:

2002

Language:

english

File:

PDF, 242 KB

english, 2002

50

A Quantum Mechanical Study of the Decomposition of CF 3 OCF 3 and CF 3 CF 2 OCF 2 CF 3 in the Presence of AlF 3

Jiang, Bangwu, Keffer, David J., Edwards, Brian J.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 159 KB

english, 2008

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