Molecular Dynamics Simulation of Sum Frequency Generation Spectra of Aqueous Sulfuric Acid Solution

2011 ◽  
Vol 115 (28) ◽  
pp. 13704-13716 ◽  
Author(s):  
Tatsuya Ishiyama ◽  
Akihiro Morita
Keyword(s):  
Molecular Dynamics ◽  
Sulfuric Acid ◽  
Molecular Dynamics Simulation ◽  
Acid Solution ◽  
Sulfuric Acid Solution ◽  
Sum Frequency Generation ◽  
Dynamics Simulation ◽  
Sum Frequency ◽  
Aqueous Sulfuric Acid ◽  
Frequency Generation

Water Orientation at Ceramide/Water Interfaces Studied by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulation

2016 ◽  
Vol 120 (41) ◽  
pp. 23692-23697 ◽  
Author(s):  
Aniruddha Adhikari ◽  
Suyong Re ◽  
Wataru Nishima ◽  
Mohammed Ahmed ◽  
Satoshi Nihonyanagi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Sum Frequency Generation ◽  
Dynamics Simulation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation

Structure at the air/water interface in the presence of phenol: a study using heterodyne-detected vibrational sum frequency generation and molecular dynamics simulation

2018 ◽  
Vol 20 (5) ◽  
pp. 3002-3009 ◽  
Author(s):  
Ryoji Kusaka ◽  
Tatsuya Ishiyama ◽  
Satoshi Nihonyanagi ◽  
Akihiro Morita ◽  
Tahei Tahara
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Molecular Dynamics Simulation ◽  
Organic Molecule ◽  
Sum Frequency Generation ◽  
Dynamics Simulation ◽  
Water Interface ◽  
Sum Frequency ◽  
Bonding Structure ◽  
Air Water Interface

A simple, neutral organic molecule, phenol, forms a specific hydrogen-bonding structure with water at the air/water interface.

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