The importance of vibronic perturbations in ferrocytochrome c spectra: A reevaluation of spectral properties based on low-temperature optical absorption, resonance Raman, and molecular-dynamics simulations

2005 ◽  
Vol 123 (5) ◽  
pp. 054508 ◽  
Author(s):  
Matteo Levantino ◽  
Qing Huang ◽  
Antonio Cupane ◽  
Monique Laberge ◽  
Andrew Hagarman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Optical Absorption ◽  
Molecular Dynamics Simulations ◽  
Spectral Properties ◽  
Resonance Raman ◽  
Ferrocytochrome C ◽  
Absorption Resonance ◽  
Dynamics Simulations

LEED observations and molecular dynamics simulations of the low-temperature phases of N2 physisordered on graphite

Vacuum ◽  
1983 ◽  
Vol 33 (10-12) ◽  
pp. 857-858 ◽  
Author(s):  
Renee D Diehl ◽  
SC Fain ◽  
J Talbot ◽  
DJ Tildesley ◽  
WA Steele
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

scholarly journals Wide-angle X-ray scattering and molecular dynamics simulations of supercooled protein hydration water

2021 ◽  
Author(s):  
Maddalena Bin ◽  
Rafat Yousif ◽  
Sharon Berkowicz ◽  
Sudipta Das ◽  
Daniel Schlesinger ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Protein Hydration ◽  
Hydration Water ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Dynamics Simulations ◽  
Ray Scattering

Understanding the mechanism responsible for the protein low-temperature crossover observed at T≈220K can help us improve current cryopreservation technologies. This crossover is associated with changes in the dynamics of the...

Photoexcited Ag ejection from a low-temperature He cluster: a simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics

2017 ◽  
Vol 19 (21) ◽  
pp. 13798-13806 ◽  
Author(s):  
Yusuke Seki ◽  
Toshiyuki Takayanagi ◽  
Motoyuki Shiga
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Ring Polymer ◽  
Cluster A ◽  
Ring Polymer Molecular Dynamics ◽  
Dynamics Simulations

Nonadiabatic ring-polymer molecular dynamics simulations were performed to understand the photoexcitation dynamics of a low-temperature Ag·He500 cluster.

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