onor/acceptor interactions in self-assembled monolayers and their consequences on interfacial electron transfer
Article Abstract:
A tetrathiafulvalene (TTF) with an oligomethylene arm terminated by a thiol group is synthesized and monolayers of this compound are assembled on gold. The findings reveal that the cyclic voltammogram of the immobilized TTF donors varies significantly upon addition of benzyl viologen, tetracyanoquinodimethane or tetracyanoethylene acceptors to the electrolyte solution.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Long-time conformational transitions of alanine dipeptide in aqueous solution: Continuous and discrete-state kinetic models
Article Abstract:
An analysis of the thermodynamics, conformational dynamics, and kinetics of the solvated alanine dipeptide molecule is presented. The solvation was treated in the framework of the OPLS/analytic generalized born with nonpolar interactions effective potential model and a Brownian dynamics approach was used to examine the room-temperature dynamics of the dipeptide.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Polarizable solute in polarizable and flexible solvents: Simulation study of electron transfer reaction systems
Article Abstract:
A polarizable solute model, based on the empirical valence bond approach is developed and applied to electron transfer reactions in polarizable and flexible water solvents. The polarization effect is investigated in comparison with a nonpolarizable solute and solvent model.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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