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1

Molecular Content and Structure of Aqueous Organic Nanodroplets from the Vapor−Liquid Nucleation Study of the Water/ n -Nonane/1-Alcohol Series

Nellas, Ricky B., Keasler, Samuel J., Chen, Bin

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 564 KB

english, 2008

2

Assessing group-based cutoffs and the Ewald method for electrostatic interactions in clusters and in saturated, superheated, and supersaturated vapor phases of dipolar molecules

Mohammadhasan Dinpajooh, Samuel J. Keasler, Donald G. Truhlar, J. Ilja Siepmann

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 319 KB

english, 2011

3

Transferable Potentials for Phase Equilibria–United Atom Description of Five- and Six-Membered Cyclic Alkanes and Ethers

Keasler, Samuel J., Charan, Sophia M., Wick, Collin D., Economou, Ioannis G., Siepmann, J. Ilja

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.21 MB

english, 2012

4

Ion-Induced Nucleation: The Importance of Ionic Polarizability

Keasler, Samuel J., Kim, Hyunmi, Chen, Bin

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.34 MB

english, 2010

5

Molecular insights for the optimization of solvent-based selective extraction of ethanol from fermentation broths

Keasler, Samuel J., Lewin, John L., Siepmann, J. Ilja, Gryska, Nicole M., Ross, Richard B., Schultz, Nathan E., Nakamura, Masayuki

Journal:

Year:

2013

Language:

english

File:

PDF, 469 KB

english, 2013

6

Concentration effects on the selective extraction of ethanol from aqueous solution using silicalite-1 and decanol isomers

Keasler, Samuel J., Bai, Peng, Tsapatsis, Michael, Siepmann, J. Ilja

Journal:

Fluid Phase Equilibria

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

7

A Nucleation-Based Method to Study Hydrophobic Interactions under Confinement: Enhanced Hydrophobic Association Driven by Energetic Contributions

Kim, Hyunmi, Keasler, Samuel J., Chen, Bin

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

8

An Aggregation-Volume-Bias Monte Carlo Investigation on the Condensation of a Lennard-Jones Vapor below the Triple Point and Crystal Nucleation in Cluster Systems: An In-Depth Evaluation of the Classical Nucleation Theory

Chen, Bin, Kim, Hyunmi, Keasler, Samuel J., Nellas, Ricky B.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 311 KB

english, 2008

9

Water mediated attraction between repulsive ions: A cluster-based simulation approach

Keasler, Samuel J., Nellas, Ricky B., Chen, Bin

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 438 KB

english, 2006

10

Fractal Aggregates in Protein Crystal Nucleation

Chen, Bin, Nellas, Ricky B., Keasler, Samuel J.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 284 KB

english, 2008

11

Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transfer

Leverentz, Hannah R., Maerzke, Katie A., Keasler, Samuel J., Siepmann, J. Ilja, Truhlar, Donald G.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.96 MB

english, 2012

12

[IEEE Second International Multi-Symposiums on Computer and Computational Sciences (IMSCCS 2007) - Iowa City, IA, USA (2007.08.13-2007.08.15)] Second International Multi-Symposiums on Computer and Computational Sciences (IMSCCS 2007) - An innovative simulation approach for water mediated attraction based on grid computing

Yun, Zhifeng, Keasler, Samuel J., Xie, Maoyuan, Lei, Zhou, Allen, Gabrielle

Year:

2007

Language:

english

File:

PDF, 342 KB

english, 2007

13

Exploring the discrepancies between experiment, theory, and simulation for the homogeneous gas-to-liquid nucleation of 1-pentanol

Nellas, Ricky B., Keasler, Samuel J., Siepmann, J. Ilja, Chen, Bin

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.83 MB

english, 2010

14

Sign preference in ion-induced nucleation: Contributions to the free energy barrier

Keasler, Samuel J., Kim, Hyunmi, Chen, Bin

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.52 MB

english, 2012

15

[IEEE Second International Multi-Symposiums on Computer and Computational Sciences (IMSCCS 2007) - Iowa City, IA, USA (2007.08.13-2007.08.15)] Second International Multi-Symposiums on Computer and Computational Sciences (IMSCCS 2007) - An Innovative Simulation Approach for Water Mediated AttractionBased on Grid Computing

Yun, Zhifeng, Keasler, Samuel J., Xie, Maoyuan, Lei, Zhou, Allen, Gabrielle

Year:

2007

Language:

english

File:

PDF, 342 KB

english, 2007

16

Understanding the sensitivity of nucleation free energies: The role of supersaturation and temperature

Keasler, Samuel J., Siepmann, J. Ilja

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 498 KB

english, 2015