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

Stefano Sansotta; Dirk Zahn

doi:10.1063/1.5003654

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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Molecular Simulation Study of Tetraalkylammonium Halides. 1. Solvation Structure and Hydrogen Bonding in Aqueous Solutions

The Journal of Physical Chemistry B ◽

10.1021/jp963304+ ◽

1997 ◽

Vol 101 (19) ◽

pp. 3818-3826 ◽

Cited By ~ 29

Author(s):

Joseph T. Slusher ◽

Peter T. Cummings

Keyword(s):

Hydrogen Bonding ◽

Aqueous Solutions ◽

Molecular Simulation ◽

Simulation Study ◽

Solvation Structure ◽

Tetraalkylammonium Halides

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Solvation structure and dynamics of K+ in aqueous ammonia solution: Insights from an ONIOM-XS MD simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2015.05.037 ◽

2015 ◽

Vol 633 ◽

pp. 152-157 ◽

Cited By ~ 9

Author(s):

Pilailuk Kabbalee ◽

Pattrawan Sripa ◽

Anan Tongraar ◽

Teerakiat Kerdcharoen

Keyword(s):

Md Simulation ◽

Aqueous Ammonia ◽

Ammonia Solution ◽

Aqueous Ammonia Solution ◽

Structure And Dynamics ◽

Solvation Structure

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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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Molecular simulation study of solvation structure in supercritical aqueous solutions

Chemical Engineering Science ◽

10.1016/0009-2509(94)e0094-7 ◽

1994 ◽

Vol 49 (17) ◽

pp. 2735-2748 ◽

Cited By ~ 47

Author(s):

P.T. Cummings ◽

A.A. Chialvo ◽

H.D. Cochran

Keyword(s):

Aqueous Solutions ◽

Molecular Simulation ◽

Simulation Study ◽

Solvation Structure

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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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Solvation Structure and Dynamics ofcis- andtrans-1,2 Dichloroethene Isomers in Supercritical Carbon Dioxide. A Molecular Dynamics Simulation Study.

The Journal of Physical Chemistry B ◽

10.1021/jp204202p ◽

2011 ◽

Vol 115 (42) ◽

pp. 12098-12107 ◽

Cited By ~ 11

Author(s):

Dimitris Dellis ◽

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Solvation Structure ◽

Supercritical Carbon

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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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First solvation shell structure and dynamics of solvated Ca2+ in dilute aqueous ammonia by first principle approach: a QMCF MD simulation study

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-020-02678-3 ◽

2020 ◽

Author(s):

Niko Prasetyo ◽

Adi Tiara Zikri ◽

Saprizal Hadisaputra

Keyword(s):

Simulation Study ◽

Shell Structure ◽

Md Simulation ◽

Aqueous Ammonia ◽

Solvation Shell ◽

First Principle ◽

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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