Vibrational Dephasing of carbonmonoxy myoglobin

Article Abstract:

The autocorrelation function of vibrational frequency fluctuations of the CO ligand in carbonmonoxy myoglobin is computed from molecular dynamics simulations. The conclusion states that molecular dynamics simulations of MbCo yield a prediction for carbonmonoxy myoglobin that agrees well with linear and nonlinear infrared measurements on all relevant time scales.

Electric properties

---

(super 59)Co and (super 6,7)Li MAS NMR in polytypes O2and O3 of LiCoO(sub 2)

Article Abstract:

(super 59)Co and (super 6,7)Li MAS NMR is applied to polytypes O2and O3 of LiCoO(sub 2) at three different magnetic field strengths (4.7, 7.1 and 11.7 T). The calculation of the shift coupling parameters shows that the magnetic suspectibility in both the O2 and O3 phases of LiCoO2 is due to Van Vleck paramagnetism for Co(super 3+) (LS t(sub 2)(super 6)).

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Lithium Compounds, Nuclear magnetic resonance, Magnetic properties

---

Directed energy "funneling" mechanism for heme cooling following ligand photolysis or direct excitation in solvated carbonmonoxy myoglobin

Article Abstract:

The study of the kinetic energy relaxation of photolyzed heme in myoglobin using molecular dynamics simulations is presented. The results revealed that the heme was found to lose most of its excess kinetic within 10 ps, following photolysis.

Molecular dynamics, Photolysis

Similar abstracts:

• Abstracts: Siting of mixtures in mordenite zeolites: (super 19)F and (super 129)Xe NMR molecular simulation. A numerical study of surface tension auto-oscillations. Effect of surfactant properties
• Abstracts: Excitation dependence of steady-state photoluminescence in CdSe nanocrystal films. Photoluminescence of CdSe nanoparticles in the presence of a hole acceptor: n-butylamine
• Abstracts: Quantification studies in continuous-flow (super 13)C nuclear magnetic resonance spectroscopy by use of immobilized paramagnetic relaxation agents
• Abstracts: Initial growth of the water layer on (1 x 1)-oxygen-covered Ru(0001) in comparison with that on bare Ru(0001)
• Abstracts: Density functional study of the roles of chemical composition of di-transition-metal-substituted gamma-Keggin polyoxometalate anions

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.