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1

Water Interactions With Nanoporous Silica: Comparison of ReaxFF and Ab Initio Based Molecular Dynamics Simulations

Rimsza, Jessica M., Yeon, Jejoon, van Duin, Adri C.T., Du, Jincheng

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.30 MB

english, 2016

2

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

3

Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra high magnetic field (35.2T)

Bonhomme, Christian, Wang, Xiaoling, Hung, Ivan, Gan, Zhehong, Gervais, Christel, Sassoye, Capucine, Rimsza, Jessica, Du, Jincheng, Smith, Mark E, Hanna, John V, Sarda, Stephanie, Gras, Pierre, Combes

Journal:

Chemical Communications

Year:

2018

Language:

english

File:

PDF, 1012 KB

english, 2018

4

Adsorption complexes of copper and copper oxide in the deep eutectic solvent 2:1 urea–choline chloride

Jessica M. Rimsza, L. René Corrales

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 383 KB

english, 2012

5

Ar ions and oxygen plasma interactions of amine terminated organosilicate glass: A combined experimental and ab initio simulations study

Kazi, Haseeb, Rimsza, Jessica, Du, Jincheng, Kelber, Jeffry

Journal:

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Year:

2014

Language:

english

File:

PDF, 1.30 MB

english, 2014

6

Crack propagation in silica from reactive classical molecular dynamics simulations

Rimsza, Jessica M., Jones, Reese E., Criscenti, Louise J.

Journal:

Journal of the American Ceramic Society

Year:

2017

Language:

english

File:

PDF, 2.09 MB

english, 2017

7

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Du, Jincheng, Rimsza, Jessica M.

Journal:

npj Materials Degradation

Year:

2017

Language:

english

File:

PDF, 2.25 MB

english, 2017

8

An atomic-scale evaluation of the fracture toughness of silica glass

Jones, Reese, Rimsza, Jessica M, Criscenti, Louise J.

Journal:

Journal of Physics Condensed Matter

Year:

2018

Language:

english

File:

PDF, 1.30 MB

english, 2018

9

Development of a ReaxFF Reactive Force Field for NaSiO x /Water Systems and Its Application to Sodium and Proton Self-Diffusion

Hahn, Seung Ho, Rimsza, Jessica M., Criscenti, Louise J, Sun, Wei, Deng, Lu, Du, Jincheng, Liang, Tao, Sinnott, Susan B., van Duin, Adri C.T.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.57 MB

english, 2018

10

Synthesis, Characterization, and Nanomaterials Generated from 6,6′-(((2-Hydroxyethyl)azanediyl)bis(methylene))bis(2,4-di- tert -butylphenol) Modified Group 4 Metal Alkoxides

Boyle, Timothy J., Farrell, Joshua, Yonemoto, Daniel T., Sears, Jeremiah M., Rimsza, Jessica M., Perales, Diana, Bell, Nelson S., Cramer, Roger E., Treadwell, LaRico J., Renehan, Peter, Adams, Casey J

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 6.08 MB

english, 2018

11

Chemical effects on subcritical fracture in silica from molecular dynamics simulations

Rimsza, Jessica M., Jones, Reese E., Criscenti, Louise J.

Journal:

Journal of Geophysical Research Solid Earth

Year:

2018

Language:

english

File:

PDF, 1.53 MB

english, 2018

12

Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases

Rimsza, Jessica M., Sorte, Eric G., Alam, Todd M.

Journal:

Year:

2019

Language:

english

File:

PDF, 5.07 MB

english, 2019

13

Mechanisms of Silica Fracture in Aqueous Electrolyte Solutions

Rimsza, Jessica M., Jones, Reese E., Criscenti, Louise J.

Journal:

Frontiers in Materials

Year:

2019

File:

PDF, 10.14 MB

2019

14

Role of defects on the surface properties of HfC

Rimsza, Jessica M., Foiles, Stephen, Michael, Joseph, Mackie, William, Larson, Kurt

Journal:

Applied Surface Science

Year:

2019

Language:

english

File:

PDF, 1.04 MB

english, 2019

15

Role of defects on the surface properties of HfC

Rimsza, Jessica M., Foiles, Stephen, Michael, Joseph, Mackie, William, Larson, Kurt

Journal:

Applied Surface Science

Year:

2019

File:

PDF, 1.04 MB

2019

16

NOx Adsorption and optical detection in Rare Earth Metal-Organic Frameworks

Sava Gallis, Dorina F, Vogel, Dayton J., Vincent, Grace, Rimsza, Jessica M., Nenoff, Tina M.

Journal:

ACS Applied Materials & Interfaces

Year:

2019

Language:

english

File:

PDF, 737 KB

english, 2019

17

Structure and electronic properties of rare earth DOBDC metal–organic-frameworks

Vogel, Dayton J., Sava Gallis, Dorina F., Nenoff, Tina M., Rimsza, Jessica M.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.90 MB

english, 2019

18

Structure and electronic properties of rare earth DOBDC metal–organic-frameworks

Vogel, Dayton J., Sava Gallis, Dorina F., Nenoff, Tina M., Rimsza, Jessica M.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 2.90 MB

2019

19

Tuned Hydrogen Bonding in Rare Earth MOFs for Design of Optical and Electronic Properties: An Exemplar Study of Y-DOBDC

Vogel, Dayton J., Nenoff, Tina M., Rimsza, Jessica M.

Journal:

ACS Applied Materials & Interfaces

Year:

2020

File:

PDF, 742 KB

2020

20

Energetics and Structure of AgâWater Clusters Formed in Mordenite

Rimsza, Jessica M., Chapman, Karena W., Nenoff, Tina M.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 2.45 MB

2020

21

Computational and Experimental 1H-NMR Study of Hydrated Mg-Based Minerals

Sorte, Eric G., Rimsza, Jessica M., Alam, Todd M.

Journal:

Year:

2020

Language:

english

File:

PDF, 2.31 MB

english, 2020

22

Surface Energies and Structure of SaltâBrine Interfaces

Rimsza, Jessica M., Kuhlman, Kristopher L.

Journal:

Year:

2020

File:

PDF, 4.75 MB

2020

23

Magnetic Tunability in RE-DOBDC MOFs via NO x Acid Gas Adsorption

Henkelis, Susan E., Huber, Dale L., Vogel, Dayton J., Rimsza, Jessica M., Nenoff, Tina M.

Journal:

ACS Applied Materials & Interfaces

Year:

2020

File:

PDF, 1.16 MB

2020

24

Synthesis, characterization, and computational modeling of 6,6'-(((2-hydroxyethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) modified group 4 metal alkoxides

Boyle, Timothy J., Rimsza, Jessica M., Farrell, Joshua, Robinson, Xavier J., Guerrero, Fernando, Cramer, Roger, Perales, Diana, Renehan, Peter

Journal:

Journal of Coordination Chemistry

Year:

2020

File:

PDF, 2.38 MB

2020

25

Enhanced Sulfur Dioxide Adsorption in UiO-66 Through Crystal Engineering and Chalcogen Bonding

Walton, Ian, Chen, Carmen, Rimsza, Jessica M., Nenoff, Tina M., Walton, Krista S.

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 623 KB

2020