Effects of Confinement on Water Structure and Dynamics:  A Molecular Simulation Study

P. Hirunsit; P. B. Balbuena

doi:10.1021/jp063718v

Effects of Confinement on Water Structure and Dynamics: A Molecular Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp063718v ◽

2007 ◽

Vol 111 (4) ◽

pp. 1709-1715 ◽

Cited By ~ 76

Author(s):

P. Hirunsit ◽

P. B. Balbuena

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Water Structure ◽

Structure And Dynamics

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Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation study

The Journal of Chemical Physics ◽

10.1063/1.5003654 ◽

2017 ◽

Vol 147 (11) ◽

pp. 114506 ◽

Cited By ~ 5

Author(s):

Stefano Sansotta ◽

Dirk Zahn

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Aqueous Ammonia ◽

Structure And Dynamics ◽

Solvation Structure

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Water structure and dynamics in phosphate fluorosurfactant based reverse micelle: A computer simulation study

The Journal of Chemical Physics ◽

10.1063/1.1531585 ◽

2003 ◽

Vol 118 (4) ◽

pp. 1937-1944 ◽

Cited By ~ 58

Author(s):

Sanjib Senapati ◽

Max L. Berkowitz

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Reverse Micelle ◽

Water Structure ◽

Computer Simulation Study ◽

Structure And Dynamics

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Effect of Ser392 Phosphorylation on the Structure and Dynamics of the Polybasic Domain of ADP Ribosylation Factor Nucleotide Site Opener Protein: A Molecular Simulation Study

Biochemistry ◽

10.1021/bi400912e ◽

2013 ◽

Vol 52 (41) ◽

pp. 7339-7349 ◽

Cited By ~ 3

Author(s):

Kannan Srinivasaraghavan ◽

Kassoum Nacro ◽

Gerhard Grüber ◽

Chandra S. Verma

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Protein A ◽

Adp Ribosylation ◽

Structure And Dynamics ◽

Nucleotide Site ◽

Adp Ribosylation Factor

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Dispersion and Solvation Effects on the Structure and Dynamics of N719 Adsorbed to Anatase Titania (101) Surfaces in Room-Temperature Ionic Liquids: An ab Initio Molecular Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b08964 ◽

2015 ◽

Vol 120 (1) ◽

pp. 21-30 ◽

Cited By ~ 8

Author(s):

Aaron Byrne ◽

Niall J. English ◽

Udo Schwingenschlögl ◽

David F. Coker

Keyword(s):

Ionic Liquids ◽

Ab Initio ◽

Molecular Simulation ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Solvation Effects ◽

Structure And Dynamics ◽

Anatase Titania

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Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study

Journal of Membrane Science ◽

10.1016/j.memsci.2014.01.054 ◽

2014 ◽

Vol 458 ◽

pp. 236-244 ◽

Cited By ~ 82

Author(s):

Minxia Ding ◽

Anthony Szymczyk ◽

Florent Goujon ◽

Armand Soldera ◽

Aziz Ghoufi

Keyword(s):

Reverse Osmosis ◽

Molecular Simulation ◽

Simulation Study ◽

Reverse Osmosis Membrane ◽

Structure And Dynamics

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Molecular Simulation Study of Separation of CO2 from Alkanes Using Metal-Organic Frameworks

The Journal of Physical Chemistry B ◽

10.1021/jp064376w ◽

2006 ◽

Vol 0 (0) ◽

pp. 0-0

Author(s):

S. Wang ◽

Q. Yang ◽

C. Zhong

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

Separation Of Co2

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Faculty Opinions recommendation of Reconciling the "old" and "new" views of protein allostery: a molecular simulation study of chemotaxis Y protein (CheY).

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1014443.371913 ◽

2006 ◽

Author(s):

George Ordal

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Protein Allostery

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Molecular simulation study of the curling behavior of the finite free-standing kaolinte layer

Computational Materials Science ◽

10.1016/j.commatsci.2020.110037 ◽

2021 ◽

Vol 186 ◽

pp. 110037

Author(s):

Zoltán Ható ◽

Jadran Vrabec ◽

Tamás Kristóf

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Free Standing

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Comparative Molecular Simulation Study of Methane Adsorption in Metal−Organic Frameworks

Energy & Fuels ◽

10.1021/ef060578f ◽

2007 ◽

Vol 21 (2) ◽

pp. 953-956 ◽

Cited By ~ 51

Author(s):

Sanyue Wang

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Methane Adsorption ◽

Metal Organic

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A molecular simulation study on solvation free energy and structural properties of polycyclic aromatic hydrocarbons in supercritical water environment

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114274 ◽

2020 ◽

Vol 318 ◽

pp. 114274

Author(s):

Weijing Ding ◽

Yunan Chen ◽

Zhiwei Ge ◽

Wen Cao ◽

Hui Jin

Keyword(s):

Free Energy ◽

Polycyclic Aromatic Hydrocarbons ◽

Structural Properties ◽

Molecular Simulation ◽

Supercritical Water ◽

Simulation Study ◽

Aromatic Hydrocarbons ◽

Water Environment ◽

Solvation Free Energy ◽

Polycyclic Aromatic

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