Molecular Dynamics Shows That Ion Pairing and Counterion Anchoring Control the Properties of Triflate Micelles: A Comparison with Triflate at the Air/Water Interface

Langmuir ◽  
2014 ◽  
Vol 30 (5) ◽  
pp. 1239-1249 ◽  
Author(s):  
Filipe S. Lima ◽  
Hernan Chaimovich ◽  
Iolanda M. Cuccovia ◽  
Dominik Horinek
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairing ◽  
Water Interface ◽  
Air Water Interface

scholarly journals Surface Potential of MIBC at Air/Water Interface: a Molecular Dynamics Study

2012 ◽  
Vol 10 (0) ◽  
pp. 437-440 ◽  
Author(s):  
C. M. Phan ◽  
H. Nakahara ◽  
O. Shibata ◽  
Y. Moroi ◽  
C. V. Nguyen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Surface Potential ◽  
Water Interface ◽  
Air Water Interface

Behavior of β-Amyloid 1−16 at the Air−Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations

2011 ◽  
Vol 115 (23) ◽  
pp. 5873-5880 ◽  
Author(s):  
Abigail E. Miller ◽  
Poul B. Petersen ◽  
Christopher W. Hollars ◽  
Richard J. Saykally ◽  
Jan Heyda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonlinear Spectroscopy ◽  
Water Interface ◽  
Air Water Interface ◽  
Β Amyloid ◽  
Dynamics Simulations

Molecular dynamics simulations predict an accelerated dissociation of H2CO3 at the air–water interface

2014 ◽  
Vol 16 (46) ◽  
pp. 25573-25582 ◽  
Author(s):  
Mirza Galib ◽  
Gabriel Hanna
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Carbonic Acid ◽  
Bulk Water ◽  
Water Interface ◽  
Air Water Interface ◽  
Dynamics Simulations ◽  
Dissociation Barrier

Ab initio molecular dynamics simulations of carbonic acid (H2CO3) at the air–water interface yield a lower dissociation barrier than in bulk water.

Molecular Dynamics Study of Surfactin Monolayer at the Air/Water Interface

2011 ◽  
Vol 115 (44) ◽  
pp. 12770-12777 ◽  
Author(s):  
Hong-Ze Gang ◽  
Jin-Feng Liu ◽  
Bo-Zhong Mu
Keyword(s):  
Molecular Dynamics ◽  
Water Interface ◽  
Air Water Interface
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