scholarly journals Nonlinear, Nonpolar Solvation Dynamics in Water:  The Roles of Electrostriction and Solvent Translation in the Breakdown of Linear Response

2000 ◽  
Vol 104 (22) ◽  
pp. 5382-5394 ◽  
Author(s):  
Damian Aherne ◽  
Vu Tran ◽  
Benjamin J. Schwartz
Keyword(s):  
Linear Response ◽  
Solvation Dynamics ◽  
Nonpolar Solvation

Time‐resolved nonpolar solvation dynamics in supercooled and low viscosity n‐butylbenzene

1993 ◽  
Vol 99 (11) ◽  
pp. 8552-8558 ◽  
Author(s):  
John T. Fourkas ◽  
Andrea Benigno ◽  
Mark Berg
Keyword(s):  
Solvation Dynamics ◽  
Time Resolved ◽  
Low Viscosity ◽  
Nonpolar 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.

scholarly journals Solvation dynamics in polar solvents and imidazolium ionic liquids: failure of linear response approximations

2018 ◽  
Vol 20 (7) ◽  
pp. 5246-5255 ◽  
Author(s):  
Esther Heid ◽  
Christian Schröder
Keyword(s):  
Ionic Liquids ◽  
Linear Response ◽  
Large Scale ◽  
Linear Response Theory ◽  
Time Dependent ◽  
Solvation Dynamics ◽  
Polar Solvents ◽  
Imidazolium Ionic Liquids ◽  
Fluorescence Measurements ◽  
Solvent Systems

Large scale computer simulations of different fluorophore-solvent systems reveal when and why linear response theory applies to time-dependent fluorescence measurements.

Hidden Breakdown of Linear Response:  Projections of Molecular Motions in Nonequilibrium Simulations of Solvation Dynamics

2003 ◽  
Vol 107 (24) ◽  
pp. 4773-4777 ◽  
Author(s):  
Michael J. Bedard-Hearn ◽  
Ross E. Larsen ◽  
Benjamin J. Schwartz
Keyword(s):  
Linear Response ◽  
Solvation Dynamics ◽  
Molecular Motions

scholarly journals To unravel the connection between the non-equilibrium and equilibrium solvation dynamics of tryptophan: success and failure of the linear response theory of fluorescence Stokes shift

RSC Advances ◽  
2020 ◽  
Vol 10 (31) ◽  
pp. 18348-18354
Author(s):  
Xiaofang Wang ◽  
Jirui Guo ◽  
Tanping Li ◽  
Zhiyi Wei
Keyword(s):  
Excited State ◽  
Linear Response ◽  
Stokes Shift ◽  
Linear Response Theory ◽  
Solvation Dynamics ◽  
Response Theory ◽  
Gaussian Statistics ◽  
Non Equilibrium

Success and failure of linear response theory for Stokes shift correlate with the excited state Gaussian statistics.

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