Importance sampling and theory of nonequilibrium solvation dynamics in water

2000 ◽  
Vol 113 (21) ◽  
pp. 9759-9765 ◽  
Author(s):  
Phillip L. Geissler ◽  
David Chandler
Keyword(s):  
Importance Sampling ◽  
Solvation Dynamics ◽  
Nonequilibrium Solvation

scholarly journals On the validity of linear response approximations regarding the solvation dynamics of polyatomic solutes

2017 ◽  
Vol 19 (17) ◽  
pp. 10940-10950 ◽  
Author(s):  
Esther Heid ◽  
Wanda Moser ◽  
Christian Schröder
Keyword(s):  
Linear Response ◽  
Solvation Dynamics ◽  
Gaussian Statistics ◽  
Nonequilibrium Solvation

Gaussian statistics and linear response predictions of the nonequilibrium solvation dynamics are tested for numerous solute/solvent combinations.

Signatures of Nonequilibrium Solvation Dynamics on Multidimensional Spectra

2009 ◽  
Vol 42 (9) ◽  
pp. 1299-1309 ◽  
Author(s):  
Porscha L. McRobbie ◽  
Gabriel Hanna ◽  
Qiang Shi ◽  
Eitan Geva
Keyword(s):  
Solvation Dynamics ◽  
Nonequilibrium Solvation

Nonequilibrium solvation dynamics in solution reactions

1983 ◽  
Vol 78 (6) ◽  
pp. 4174-4185 ◽  
Author(s):  
G. van der Zwan ◽  
James T. Hynes
Keyword(s):  
Solvation Dynamics ◽  
Nonequilibrium Solvation

Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores

2020 ◽  
Author(s):  
Matteo Tiecco ◽  
Irene Di Guida ◽  
Pier Luigi Gentili ◽  
Raimondo Germani ◽  
Carmela Bonaccorso ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Deep Eutectic Solvents ◽  
Structural Features ◽  
Solvation Dynamics ◽  
Structured Systems ◽  
Reduced Viscosity ◽  
Bond Network ◽  
Fluorescent Molecules

<div><div><div><p>The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the experienced environment, so that they can provide insights into the polarity, viscosity, hydrogen-bond network, and micro-heterogeneity of the various DESs.</p><p>In fact, the investigated DESs exhibit a variety of properties with regards to their hydrophilicity, acidity, and hydrogen-bond ability, and these details were deeply probed by the two fluorescent molecules. The effect of the addition of water, which is a key strategy for tuning the properties of these structured systems, was also tested. In particular, the excited state dynamics of the probes, measured by femtosecond-resolved transient absorption, proved instrumental in understanding the changes in the structural properties of the DESs, namely reduced viscosity and enhanced heterogeneity, as the water percentage increases. Differences between the various DESs in terms of both local microheterogeneity and bulk viscosity also emerged from the peculiar multi-exponential solvation dynamics undergone by the excited states of the probes.</p></div></div></div>

Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores

2020 ◽  
Author(s):  
Matteo Tiecco ◽  
Irene Di Guida ◽  
Pier Luigi Gentili ◽  
Raimondo Germani ◽  
Carmela Bonaccorso ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transient Absorption ◽  
Photophysical Properties ◽  
Deep Eutectic Solvents ◽  
Structural Features ◽  
Solvation Dynamics ◽  
Structured Systems ◽  
Reduced Viscosity ◽  
Bond Network ◽  
Fluorescent Molecules

<div><div><div><p>The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the experienced environment, so that they can provide insights into the polarity, viscosity, hydrogen-bond network, and micro-heterogeneity of the various DESs.</p><p>In fact, the investigated DESs exhibit a variety of properties with regards to their hydrophilicity, acidity, and hydrogen-bond ability, and these details were deeply probed by the two fluorescent molecules. The effect of the addition of water, which is a key strategy for tuning the properties of these structured systems, was also tested. In particular, the excited state dynamics of the probes, measured by femtosecond-resolved transient absorption, proved instrumental in understanding the changes in the structural properties of the DESs, namely reduced viscosity and enhanced heterogeneity, as the water percentage increases. Differences between the various DESs in terms of both local microheterogeneity and bulk viscosity also emerged from the peculiar multi-exponential solvation dynamics undergone by the excited states of the probes.</p></div></div></div>

Real-time Visual Tracking of Multiple Targets Using Bootstrap Importance Sampling

2012 ◽  
Vol 38 (10) ◽  
pp. 1663
Author(s):  
Le-Jun SHEN ◽  
Zhi-Sheng YOU ◽  
Xiao-Feng LI
Keyword(s):  
Real Time ◽  
Importance Sampling ◽  
Visual Tracking ◽  
Multiple Targets
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