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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

Année:

2014

Langue:

english

Fichier:

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

Année:

2002

Langue:

english

Fichier:

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

Année:

2009

Langue:

english

Fichier:

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

Année:

2015

Langue:

english

Fichier:

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

Année:

2012

Langue:

english

Fichier:

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

Année:

2006

Langue:

english

Fichier:

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

Année:

2005

Langue:

english

Fichier:

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

Année:

2015

Langue:

english

Fichier:

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

Année:

2015

Langue:

english

Fichier:

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:

Année:

2018

Langue:

english

Fichier:

PDF, 2.11 MB

english, 2018

11

Synthesis of platinum/reduced graphene oxide composite pastes for fabrication of cathodes in dye-sensitized solar cells with screen-printing technology

Cuong, Le Van, Thinh, Nguyen Duc, Nghia, Le Tran Trung, Khoa, Nguyen Dang, Hung, Le Khac, Dat, Ho Huu, Khang, Pham Tan, Hoang, Nguyen Thai, Chau, Pham Trong Liem, Phong, Mai Thanh, Hieu, Nguyen Huu

Journal:

Inorganic Chemistry Communications

Année:

2020

Fichier:

PDF, 2.03 MB

2020

12

Segregation of Inorganic Ions at Surfaces of Polar Nonaqueous Liquids

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

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 419 KB

english, 2007

13

Fluoride—fluoride association in water from molecular dynamics simulations

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 373 KB

english, 1992

14

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

Journal:

Chemical Physics Letters

Année:

1993

Langue:

english

Fichier:

PDF, 427 KB

english, 1993

15

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

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 349 KB

english, 1994

16

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

David E. Smith, Liem X. Dang

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 465 KB

english, 1994

17

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

Année:

2006

Langue:

english

Fichier:

PDF, 231 KB

english, 2006

18

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

Liem X Dang, Bruce C Garrett

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 200 KB

english, 2004

19

Hydroxyl radical transfer between interface and bulk from transition path sampling

Collin D. Wick, Liem X. Dang

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 283 KB

english, 2007

20

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

Année:

2008

Langue:

english

Fichier:

PDF, 476 KB

english, 2008

21

Recent advances in understanding transfer ions across aqueous interfaces

Collin D. Wick, Liem X. Dang

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 838 KB

english, 2008

22

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

Année:

2009

Langue:

english

Fichier:

PDF, 660 KB

english, 2009

23

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

Tsun-Mei Chang, Liem X. Dang

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 450 KB

english, 1996

24

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)

Année:

2006

Langue:

english

Fichier:

PDF, 284 KB

english, 2006

25

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)

Année:

2006

Langue:

english

Fichier:

PDF, 352 KB

english, 2006

26

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

Année:

2011

Langue:

english

Fichier:

PDF, 845 KB

english, 2011

27

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

Année:

2009

Langue:

english

Fichier:

PDF, 84 KB

english, 2009

28

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

Année:

1990

Langue:

english

Fichier:

PDF, 1.06 MB

english, 1990

29

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

Année:

2012

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2012

30

On the correlation between like ion pairs in water

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

Journal:

The Journal of Chemical Physics

Année:

1992

Langue:

english

Fichier:

PDF, 420 KB

english, 1992

31

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

Année:

2010

Langue:

english

Fichier:

PDF, 1.66 MB

english, 2010

32

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

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 124 KB

english, 2005

33

Computer Simulation of Chloroform with a Polarizable Potential Model

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

Journal:

Journal of Physical Chemistry B

Année:

1997

Langue:

english

Fichier:

PDF, 374 KB

english, 1997

34

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

Année:

2009

Langue:

english

Fichier:

PDF, 1.72 MB

english, 2009

35

Computer simulations of NaCl association in polarizable water

Smith, David E., Dang, Liem X.

Journal:

The Journal of Chemical Physics

Année:

1994

Langue:

english

Fichier:

PDF, 976 KB

english, 1994

36

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

Année:

1997

Langue:

english

Fichier:

PDF, 580 KB

english, 1997

37

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

Année:

2013

Langue:

english

Fichier:

PDF, 410 KB

english, 2013

38

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

Année:

1996

Langue:

english

Fichier:

PDF, 398 KB

english, 1996

39

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

Année:

2012

Langue:

english

Fichier:

PDF, 818 KB

english, 2012

40

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

Année:

1996

Langue:

english

Fichier:

PDF, 489 KB

english, 1996

41

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

Année:

2012

Langue:

english

Fichier:

PDF, 3.79 MB

english, 2012

42

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

Année:

1990

Langue:

english

Fichier:

PDF, 529 KB

english, 1990

43

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

Année:

2012

Langue:

english

Fichier:

PDF, 478 KB

english, 2012

44

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

Journal:

Journal of Physical Chemistry B

Année:

2001

Langue:

english

Fichier:

PDF, 393 KB

english, 2001

45

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

Année:

1995

Langue:

english

Fichier:

PDF, 2.52 MB

english, 1995

46

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

Année:

2012

Langue:

english

Fichier:

PDF, 2.05 MB

english, 2012

47

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

Année:

1994

Langue:

english

Fichier:

PDF, 1.00 MB

english, 1994

48

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

Année:

1990

Langue:

english

Fichier:

PDF, 425 KB

english, 1990

49

Ion Solvation in Polarizable Chloroform: A Molecular Dynamics Study

Chang, Tsun-Mei, Dang, Liem X.

Journal:

Journal of Physical Chemistry B

Année:

1997

Langue:

english

Fichier:

PDF, 203 KB

english, 1997

50

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

Année:

2006

Langue:

english

Fichier:

PDF, 211 KB

english, 2006