Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Autocorrelation function vibrational modes, hydrogen-bonded systems

The rotational relaxation of water molecules is often discussed in terms of angular momentum autocorrelation functions (e g., Stillinger and Rahman 1972 Yoshii et al. 1998). For a flexible water model, a slightly different approach can also be used. In order to separate the various modes of molecular librations (hindered rotations) and intramolecular vibrations, the scheme proposed by Bopp (1986) and Spohr et al. (1988) can be employed. The instantaneous velocities of the two hydrogen atoms of every water molecule in the molecular center-of-mass system are projected onto the instantaneous unit vectors i) in the direction of the corresponding OH bond (ui and U2) ... [Pg.116]


See other pages where Autocorrelation function vibrational modes, hydrogen-bonded systems is mentioned: [Pg.1220]   


SEARCH



Autocorrelation

Autocorrelation function

Autocorrelation function functions

Autocorrelation function hydrogen bonds

Autocorrelations

Autocorrelator

Autocorrelators

Bond Systems

Bond functions

Bond modes

Bonded Systems

Bonding modes

Bonding system

Bonds vibrational modes

Functional mode

Functional systems

Hydrogen bonding autocorrelation function

Hydrogen bonding function

Hydrogen bonding vibrational modes

Hydrogen function

Hydrogen systems

Hydrogen vibration modes

Hydrogenous systems

Vibration Bonding

Vibrational function

Vibrational modes

© 2024 chempedia.info