Vibrational Sum-Frequency Generation Spectroscopy at the Water/Lipid Interface: Molecular Dynamics Simulation Study

Journal of the American Chemical Society ◽

10.1021/ja100508n ◽

2010 ◽

Vol 132 (18) ◽

pp. 6434-6442 ◽

Author(s):

Yuki Nagata ◽

Shaul Mukamel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Sum Frequency ◽

Sum Frequency Generation Spectroscopy ◽

Frequency Generation

Download Full-text

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

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b08980 ◽

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

Download Full-text

Surface Structure of Organic Carbonate Liquids Investigated by Molecular Dynamics Simulation and Sum Frequency Generation Spectroscopy

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b03935 ◽

2016 ◽

Vol 120 (28) ◽

pp. 15185-15197 ◽

Author(s):

Lin Wang ◽

Qiling Peng ◽

Shen Ye ◽

Akihiro Morita

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Surface Structure ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Sum Frequency ◽

Sum Frequency Generation Spectroscopy ◽

Organic Carbonate ◽

Frequency Generation

Download Full-text

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

The Journal of Physical Chemistry C ◽

10.1021/jp200269k ◽

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

Download Full-text

Surface Orientation of Magainin 2: Molecular Dynamics Simulation and Sum Frequency Generation Vibrational Spectroscopic Studies

Langmuir ◽

10.1021/la1024394 ◽

2010 ◽

Vol 26 (20) ◽

pp. 16031-16036 ◽

Author(s):

Andrew P. Boughton ◽

Ioan Andricioaei ◽

Zhan Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Spectroscopic Studies ◽

Surface Orientation ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Sum Frequency ◽

Frequency Generation

Download Full-text

Water Bending Mode at the Water–Vapor Interface Probed by Sum-Frequency Generation Spectroscopy: A Combined Molecular Dynamics Simulation and Experimental Study

The Journal of Physical Chemistry Letters ◽

10.1021/jz400683v ◽

2013 ◽

Vol 4 (11) ◽

pp. 1872-1877 ◽

Author(s):

Yuki Nagata ◽

Cho-Shuen Hsieh ◽

Taisuke Hasegawa ◽

Judith Voll ◽

Ellen H. G. Backus ◽

...

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Water Vapor ◽

Molecular Dynamics Simulation ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Vapor Interface ◽

Sum Frequency ◽

Sum Frequency Generation Spectroscopy ◽

Download Full-text

Molecular dynamics simulation of liquid methanol. II. Unified assignment of infrared, raman, and sum frequency generation vibrational spectra in methyl C–H stretching region

The Journal of Chemical Physics ◽

10.1063/1.3514146 ◽

2011 ◽

Vol 134 (2) ◽

pp. 024510 ◽

Author(s):

Vladimir V. Sokolov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Sum Frequency ◽

Frequency Generation

Download Full-text

“Up” versus “down” alignment and hydration structures of solutes at the air/water interface revealed by heterodyne-detected electronic sum frequency generation with classical molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.3662136 ◽

2011 ◽

Vol 135 (19) ◽

pp. 194705 ◽

Author(s):

Sudip Kumar Mondal ◽

Achintya Kundu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Water Interface ◽

Sum Frequency ◽

Classical Molecular Dynamics ◽

Air Water Interface ◽

Frequency Generation

Download Full-text

Interactions of water with the nonionic surfactant polyoxyethylene glycol alkyl ethers studied by phase-sensitive sum frequency generation and molecular dynamics simulation

Surface Science ◽

10.1016/j.susc.2015.10.010 ◽

2016 ◽

Vol 648 ◽

pp. 366-370 ◽

Author(s):

Amirhossein Mafi ◽

Dan Hu ◽

Keng C. Chou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nonionic Surfactant ◽

Sum Frequency Generation ◽

Dynamics Simulation ◽

Sum Frequency ◽

Polyoxyethylene Glycol ◽

Phase Sensitive ◽

Alkyl Ethers ◽

Frequency Generation

Download Full-text

Aqueous Ionic and Complementary Zwitterionic Soluble Surfactants: Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy of the Surfaces

Langmuir ◽

10.1021/la0532095 ◽

2006 ◽

Vol 22 (6) ◽

pp. 2498-2505 ◽

Author(s):

Michal Petrov ◽

Babak Minofar ◽

Luboš Vrbka ◽

Pavel Jungwirth ◽

Patrick Koelsch ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Sum Frequency Generation ◽

Sum Frequency ◽

Sum Frequency Generation Spectroscopy ◽

Soluble Surfactants ◽

Frequency Generation ◽

Dynamics Simulations

Download Full-text

The study of polythiophene/water interfaces by sum-frequency generation spectroscopy and molecular dynamics simulations

Journal of Materials Chemistry B ◽

10.1039/c5tb00388a ◽

2015 ◽

Vol 3 (31) ◽

pp. 6429-6438 ◽

Author(s):

S. Bellani ◽

M. Porro ◽

C. Caddeo ◽

M. I. Saba ◽

P. B. Miranda ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molecular Orientation ◽

Sum Frequency Generation ◽

Sum Frequency ◽

Sum Frequency Generation Spectroscopy ◽

Frequency Generation ◽

Dynamics Simulations

Polythiophene/water interfaces are investigated by sum frequency generation spectroscopy and molecular dynamics simulations, showing a preferential edge-on molecular orientation.

Download Full-text