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1

Molecular dynamics simulation and analysis of interfacial water at selected sulfide mineral surfaces under anaerobic conditions

Jin, Jiaqi, Miller, Jan D., Dang, Liem X.

Journal:

International Journal of Mineral Processing

Year:

2014

Language:

english

File:

PDF, 2.83 MB

english, 2014

2

Molecular Mechanism of Ion Binding to the Liquid/Vapor Interface of Water

Dang, Liem X., Chang, Tsun-Mei

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 320 KB

english, 2002

3

Solvation of Dimethyl Succinate in a Sodium Hydroxide Aqueous Solution. A Computational Study

Sun, Xiuquan, Chang, Tsun-mei, Cao, Yang, Niwayama, Satomi, Hase, William L., Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.76 MB

english, 2009

4

Effect of surface oxidation on interfacial water structure at a pyrite (100) surface as studied by molecular dynamics simulation

Jin, Jiaqi, Miller, Jan D., Dang, Liem X., Wick, Collin D.

Journal:

International Journal of Mineral Processing

Year:

2015

Language:

english

File:

PDF, 2.67 MB

english, 2015

5

Internet Protocol over Ethernet in Powertrain - Comparison with Current Applications and Future Trends

Schneider, Stefan, Dang, Liem, Schlottmann, Eckart, Baque, Siegbert, Franke, Joern

Journal:

SAE International Journal of Passenger Cars - Electronic and Electrical Systems

Year:

2012

Language:

english

File:

PDF, 3.32 MB

english, 2012

6

Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Chemical Reviews

Year:

2006

Language:

english

File:

PDF, 714 KB

english, 2006

7

Unified Molecular Picture of the Surfaces of Aqueous Acid, Base, and Salt Solutions

Mucha, Martin, Frigato, Tomaso, Levering, Lori M., Allen, Heather C., Tobias, Douglas J., Dang, Liem X., Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 619 KB

english, 2005

8

Axonal Charcot–Marie–Tooth disease patient-derived motor neurons demonstrate disease-specific phenotypes including abnormal electrophysiological properties

Saporta, Mario A., Dang, Vu, Volfson, Dmitri, Zou, Bende, Xie, Xinmin (Simon), Adebola, Adijat, Liem, Ronald K., Shy, Michael, Dimos, John T.

Journal:

Experimental Neurology

Year:

2015

Language:

english

File:

PDF, 2.80 MB

english, 2015

9

A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks

Annapureddy, Harsha V. R., Nune, Satish K., Motkuri, Radha Kishan, McGrail, B. Peter, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 7.15 MB

english, 2015

10

Attachment, Coalescence, and Spreading of Carbon Dioxide Nanobubbles at Pyrite Surfaces

Vaziri Hassas, Behzad, Jin, Jiaqi, Dang, Liem Xuan, Wang, Xuming, Miller, Jan D

Journal:

Year:

2018

Language:

english

File:

PDF, 2.11 MB

english, 2018

11

Segregation of Inorganic Ions at Surfaces of Polar Nonaqueous Liquids

Lukasz Cwiklik, Gunther Andersson, Liem X. Dang, Pavel Jungwirth

Journal:

Year:

2007

Language:

english

File:

PDF, 419 KB

english, 2007

12

Fluoride—fluoride association in water from molecular dynamics simulations

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 373 KB

english, 1992

13

Solvation of ammonium ion. A molecular dynamics simulation with nonadditive potentials

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 427 KB

english, 1993

14

Free energies for association of Cs+ to 18-crown-6 in water. A molecular dynamics study including counter ions

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 349 KB

english, 1994

15

Interionic potentials of mean force for SrCl2 in polarizable water: A computer simulation study

David E. Smith, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 465 KB

english, 1994

16

Comparative optical study of Eu3+ ions doping in InGaN/GaN quantum dots and GaN layer grown by molecular beam epitaxy

Thomas Andreev, Nguyen Quang Liem, Yuji Hori, Mitsuhiro Tanaka, Osamu Oda, Bruno Daudin, Daniel Le Si Dang

Journal:

Optical Materials

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

17

Molecular mechanism of water and ammonia uptake by the liquid/vapor interface of water

Liem X Dang, Bruce C Garrett

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 200 KB

english, 2004

18

Hydroxyl radical transfer between interface and bulk from transition path sampling

Collin D. Wick, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 283 KB

english, 2007

19

Dynamics and free energies of CH4 and CO2 in the molecular solid of the p-tert-butylcalix[4]arene

John L. Daschbach, Praveen. K. Thallapally, B. Peter McGrail, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 476 KB

english, 2008

20

Recent advances in understanding transfer ions across aqueous interfaces

Collin D. Wick, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 838 KB

english, 2008

21

The reorientation mechanism of hydroxide ions in water: A molecular dynamics study

Xiuquan Sun, Soohaeng Yoo, Sotiris S. Xantheas, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 660 KB

english, 2009

22

Transfer of CH4 across the H2OCCl4 liquid-liquid interface with polarizable potential models

Tsun-Mei Chang, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 450 KB

english, 1996

23

Eu3+ location in Eu doped GaN thin films and quantum dots

Thomas Andreev, Nguyen Quang Liem, Yuji Hori, Mitsuhiro Tanaka, Osamu Oda, Daniel Le Si Dang, Bruno Daudin

Journal:

physica status solidi (c)

Year:

2006

Language:

english

File:

PDF, 284 KB

english, 2006

24

Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium

Vassiliki-Alexandra Glezakou, Yongsheng Chen, John L. Fulton, Gregory K. Schenter, Liem X. Dang

Journal:

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

Year:

2006

Language:

english

File:

PDF, 352 KB

english, 2006

25

Molecular mechanism of hydrocarbons binding to the metal–organic framework

Xiuquan Sun, Collin D. Wick, Praveen K. Thallapally, B. Peter McGrail, Liem X. Dang

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 845 KB

english, 2011

26

1061: Splanchnic Vessel Aneurysms: Ultrasound Findings in Combining with MSCT 64 in Vietnam

Hung Thien Nguyen, Tai van Le, Liem Dang Le, Thinh Vinh Nguyen, Hai Thanh Phan

Journal:

Ultrasound in Medicine & Biology

Year:

2009

Language:

english

File:

PDF, 84 KB

english, 2009

27

Free energy of association of the 18-crown-6:K+ complex in water: a molecular dynamics simulation

Dang, Liem X., Kollman, Peter A.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.06 MB

english, 1990

28

Molecular Mechanism of Gas Adsorption into Ionic Liquids: A Molecular Dynamics Study

Dang, Liem X., Chang, Tsun-Mei

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.40 MB

english, 2012

29

On the correlation between like ion pairs in water

Dang, Liem X., Pettitt, B. Montgomery, Rossky, Peter J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 420 KB

english, 1992

30

Structure, dynamics and vibrational spectrum of supercritical CO2/H2O mixtures from ab initio molecular dynamics as a function of water cluster formation

Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Dang, Liem X., McGrail, B. Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

31

Liquid−Vapor Interface of Methanol−Water Mixtures: A Molecular Dynamics Study

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 124 KB

english, 2005

32

Computer Simulation of Chloroform with a Polarizable Potential Model

Chang, Tsun-Mei, Dang, Liem X., Peterson, Kirk A.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 374 KB

english, 1997

33

Computational Studies of Structures and Dynamics of 1,3-Dimethylimidazolim Salt Liquids and their Interfaces Using Polarizable Potential Models†

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.72 MB

english, 2009

34

Computer simulations of NaCl association in polarizable water

Smith, David E., Dang, Liem X.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 976 KB

english, 1994

35

Molecular dynamics study of water clusters, liquid, and liquid–vapor interface of water with many-body potentials

Dang, Liem X., Chang, Tsun-Mei

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 580 KB

english, 1997

36

Understanding ion–ion interactions in bulk and aqueous interfaces using molecular simulations

Dang, Liem X., Sun, Xiuquan, Ginovska-Pangovska, Bojana, Annapureddy, Harsha V. R., Truong, Tai Ba

Journal:

Faraday Discussions

Year:

2013

Language:

english

File:

PDF, 410 KB

english, 2013

37

Quantum statistical mechanical simulation of the ion–water cluster I−(H2O)n: The importance of nuclear quantum effects and anharmonicity

Gai, Huadong, Schenter, Gregory K., Dang, Liem X., Garrett, Bruce C.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 398 KB

english, 1996

38

Development of ions-TIP4P-Ew force fields for molecular processes in bulk and at the aqueous interface using molecular simulations

Tiefeng Peng, Tsun-Mei Chang, Xiuquan Sun, Anh V. Nguyen, Liem X. Dang

Journal:

Journal of Molecular Liquids

Year:

2012

Language:

english

File:

PDF, 818 KB

english, 2012

39

Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water

Taylor, Ramona S., Dang, Liem X., Garrett, Bruce C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 489 KB

english, 1996

40

Quantitative Analysis of Aqueous Nanofilm Rupture by Molecular Dynamic Simulation

Peng, Tiefeng, Nguyen, Anh V., Peng, Hong, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.79 MB

english, 2012

41

Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions

Caldwell, James, Dang, Liem X., Kollman, Peter A.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 529 KB

english, 1990

42

Note: Interionic potentials of mean force for Ca2+-Cl− in polarizable water

Dang, Liem X., Truong, Tai Ba, Ginovska-Pangovska, Bojana

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 478 KB

english, 2012

43

A Mechanism for Ion Transport across the Water/Dichloromethane Interface: A Molecular Dynamics Study Using Polarizable Potential Models

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 393 KB

english, 2001

44

Mechanism and Thermodynamics of Ion Selectivity in Aqueous Solutions of 18-Crown-6 Ether: A Molecular Dynamics Study

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 2.52 MB

english, 1995

45

Molecular Mechanism of Specific Ion Interactions between Alkali Cations and Acetate Anion in Aqueous Solution: A Molecular Dynamics Study

Annapureddy, Harsha V. R., Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.05 MB

english, 2012

46

Computer simulations of cesium–water clusters: Do ion–water clusters form gas-phase clathrates?

Smith, David E., Dang, Liem X.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.00 MB

english, 1994

47

The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations

Dang, Liem X., Rice, Julia E., Kollman, Peter A.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 425 KB

english, 1990

48

Ion Solvation in Polarizable Chloroform: A Molecular Dynamics Study

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 203 KB

english, 1997

49

grown by molecular beam epitaxy

Andreev, Thomas, Liem, Nguyen Quang, Hori, Yuji, Tanaka, Mitsuhiro, Oda, Osamu, Dang, Daniel Le Si, Daudin, Bruno

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 211 KB

english, 2006

50

The Effect of Polarizability for Understanding the Molecular Structure of Aqueous Interfaces

Wick, Collin D., Kuo, I-Feng W., Mundy, Christopher J., Dang, Liem X.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 361 KB

english, 2007

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