Journal ArticleDOI
The dynamics of solvation in polar liquids
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TLDR
In this paper, a review of recent experiments, theories, and computer simulations aimed at elucidating the dynamics of solvation in polar liquids are critically reviewed, and the results of these experiments are presented.About:
This article is published in Journal of Molecular Liquids.The article was published on 1993-10-01. It has received 636 citations till now. The article focuses on the topics: Solvation.read more
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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics.
Journal ArticleDOI
Contemporary Issues in Electron Transfer Research
TL;DR: In this paper, a qualitative discussion of electron transfer, its time and distance scales, energy curves, and basic parabolic energy models are introduced to define the electron transfer process, and some of the important, challenging, and problematic issues in contemporary electron transfer research are discussed.
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Mechanisms of Tryptophan Fluorescence Shifts in Proteins
James T. Vivian,Patrik R. Callis +1 more
TL;DR: This study predicted the fluorescence wavelengths of 19 tryptophans in 16 proteins using a hybrid quantum mechanical-classical molecular dynamics method with the assumption that only electrostatic interactions of thetryptophan ring electron density with the surrounding protein and solvent affect the transition energy.
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Femtosecond solvation dynamics of water
TL;DR: In this paper, the authors present experimental measurements of the ultrafast solvation dynamics of a coumarin salt in water, and combine them with computer simulations to demonstrate that a solvent response on a timescale faster than 50 fs can dominate aqueous solvation dynamic.
References
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Journal ArticleDOI
Charge Separation in Excited States of Decoupled Systems—TICT Compounds and Implications Regarding the Development of New Laser Dyes and the Primary Process of Vision and Photosynthesis
TL;DR: The dual fluorescence of certain aromatic systems has greatly advanced in recent years, and the accompanying large charge separation has been linked to a twisted (or small overlap) arrangement of the chromophores as mentioned in this paper.
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Picosecond solvation dynamics of coumarin 153: The importance of molecular aspects of solvation
TL;DR: In this paper, a probe molecule coumarin 153 (Cu153) and picosecond spectroscopic techniques were used to examine the solvation dynamics in polar liquids and showed that the frequency of the electronic spectrum of this probe provides a convenient measure of solvation energetics.
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Exact Solution of the Mean Spherical Model for Fluids of Hard Spheres with Permanent Electric Dipole Moments
TL;DR: In this paper, the mean spherical model is solved in closed form for a fluid of hard spheres with permanent electric dipole moments, and the solutions are expressed in terms of the solution of the Percus-Yevick equation for hard spheres for both positive and negative densities.