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Chemicals, plastics and rubber industries

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Static and dynamic solvation at the air/water interface

Article Abstract:

The electronic excited-state at the air/water solvation dynamics of coumarin 314 adsorbed at the air/water interface was investigated Using femtosecond time-resolved second-harmonic generation (TRSHG). With the aid of a tunable optical parametric generator giving a spectral peak at 419+/- 3nm, the second-harmonic spectra of C314 was determined at air/water interface.

Author: Eisenthal, Kenneth B., Janesko, Benjamin G., Walker, Gilbert C., Jachmann, Rabecca C., Beebe, Thomas P., Jr., Zimdars, David
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
Spectra

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G-quadruplex structure can be stable with only some coordination sites being occupied by cations: a six-nanosecond molecular dynamics study

Article Abstract:

Molecular dynamics simulations on a parallel guanine quadruplex are carried out by surrounded explicit water molecules and Na(super +1) counterions, but without any initial coordinated ions. The ions once trapped are within the channel are not expelled even during the 1.5 ns of MD at 400 K.

Author: Chowdhury, Shibasish, Bansal, Manju
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
All Other Basic Inorganic Chemical Manufacturing, Potassium & Sodium Compounds, Sodium & Sodium Compounds, Electric properties, Sodium compounds

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Subjects list: Research, Usage, Water, Molecular dynamics, Chemistry, Physical and theoretical, Physical chemistry
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