Dynamical structure of α-Ag0.99Cu0.01I crystal by 63Cu NMR chemical shift, spin–lattice relaxation time and molecular dynamics simulation

2002 ◽  
Vol 63 (2) ◽  
pp. 249-256 ◽  
Author(s):  
T. Ida ◽  
M. Mizuno ◽  
K. Endo ◽  
M. Suhara ◽  
K. Nishidate ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Molecular Dynamics Simulation ◽  
Chemical Shift ◽  
Lattice Relaxation ◽  
Lattice Relaxation Time ◽  
Dynamics Simulation ◽  
Spin Lattice Relaxation ◽  
Dynamical Structure ◽  
Spin Lattice

Proton NMR Study of Molecular Dynamics in Hydrazinium Perchlorate

1990 ◽  
Vol 45 (2) ◽  
pp. 102-106
Author(s):  
K. Ganesan ◽  
R. Damle ◽  
J. Ramakrishna
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Lattice Relaxation ◽  
Lattice Relaxation Time ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Temperature Minimum ◽  
Second Moment ◽  
Spin Lattice ◽  
Nmr Study

AbstractThe proton spin-lattice relaxation time T1 (at 5.4, 10 and 15 MHz) and second moment M2 (at 9.8 MHz) have been measured in hydrazinium Perchlorate (N2H5ClO4). The temperature dependence of T, shows two minima. The low temperature T, minimum has been explained in terms of NH3 reorientation about the N-N axis while the high temperature minimum is attributed to the exchange of protons within the NH2 group (180° flip about the H - N - H bisectrix). The activation energies for NH3 and NH: motions are found to be 20.5 kJ mol-1 and 39.8 kJ mol-1 , respectively. The second moment variation with temperature shows two transitions around 120 K and 210 K and has been discussed in terms of NH3/NH2 motions.

scholarly journals Rotation of Lipids in Membranes: Molecular Dynamics Simulation, 31P Spin-Lattice Relaxation, and Rigid-Body Dynamics

2008 ◽  
Vol 94 (8) ◽  
pp. 3074-3083 ◽  
Author(s):  
Jeffery B. Klauda ◽  
Mary F. Roberts ◽  
Alfred G. Redfield ◽  
Bernard R. Brooks ◽  
Richard W. Pastor
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rigid Body ◽  
Lattice Relaxation ◽  
Rigid Body Dynamics ◽  
Dynamics Simulation ◽  
Spin Lattice Relaxation ◽  
Spin Lattice ◽  
Body Dynamics
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