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Stochastic modeling of macromolecules in solution. II. Spectral densities
- Source :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2019
- Publication Year :
- 2019
- Publisher :
- HAL CCSD, 2019.
-
Abstract
- In Paper I [Polimeno et al., J. Chem. Phys. 150, 184107 (2019)], we proposed a general approach for interpreting relaxation properties of a macromolecule in solution, derived from an atomistic description. A simple scheme (the semiflexible Brownian, SFB, model) has been defined for the case of limited internal flexibility, but retaining full coupling with external degrees of freedom, inclusion of all of the momenta, and dissipation. Here we discuss the application of the SFB model to the practical evaluation of orientation spectral densities, based on two complementary computational treatments.
- Subjects :
- Physics
Coupling
010304 chemical physics
Stochastic process
Degrees of freedom (physics and chemistry)
General Physics and Astronomy
Dissipation
010402 general chemistry
01 natural sciences
0104 chemical sciences
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Simple (abstract algebra)
Orientation (geometry)
0103 physical sciences
Relaxation (approximation)
Statistical physics
Physical and Theoretical Chemistry
Brownian motion
Subjects
Details
- Language :
- English
- ISSN :
- 00219606 and 10897690
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2019
- Accession number :
- edsair.doi.dedup.....ffc2764059d5a542a742548f669702e1