Comment on: Recent calculations of liquid-state band structures
The Journal of Chemical Physics 96:6 (1992) 4818-4819
Dielectric constant of a hard-sphere fluid with induced dipoles and quadrupoles: Comparison of theory and simulation
The Journal of Chemical Physics 96:6 (1992) 4812-4813
Electron Paramagnetic Resonance Study of the Reaction of Ground-State Al Atoms with NH3 in a Rotating Cryostat
Journal of the American Chemical Society 114:2 (1992) 474-477
Abstract:
An electron paramagnetic resonance spectroscopic study of the reaction of ground-state A1 atoms with NH3 in adamantane at 77 K on a rotating cryostat has demonstrated the formation of three mononuclear Al-NH3 complexes, Al(NH3)4 (A), HA1NH2 (B), and Al(NH3)2 (C). These species have the following magnetic parameters: aAl = 786.3 ± 0.22 MHz, = 23 ± 0.08 MHz, and g = 1.9997 ± 0.0001 for A1(NH3)4, aAl = 922.5 ± 0.41 MHz, an = 228.7 ± 2.00 MHz, = 27 ± 2.0 MHz, aH(1) = 27 ± 2.0 MHz, and g = 2.0003 ± 0.0002 for HAINH2, and a||(Al) = 131.5 MHz, a⊥(1) = ca. 20 MHz, and g||= g⊥ = 1.999 for Al(NH3)2. HAIOH (D) is also formed in this system from adventitious H20 and has the parameters aAl= 911.3 ± 1.06 MHz, aH= 286.4 ± 3.7 MHz, and g = 1.9998 ± 0.0004. © 1992, American Chemical Society. All rights reserved.Intersecting resonances and chaos in a three-oscillator model. I. Classical studies
The Journal of Chemical Physics 97:4 (1992) 2438-2450
Abstract:
We consider a model system of three weakly coupled, weakly anharmonic oscillators, containing two near 2:1 Fermi resonances. This system is initially reduced via a resonance approximation to one of two coupled pendula, each pendulum representing one of the interoscillator resonances. This leads to a natural description of the system in terms of analytically predictable resonance zones and their intersection in action space. A full numerical analysis of the classical dynamics of the two-pendulum system is given, with respect to both the appearance of stochasticity and the development of periodic orbits in the resulting two-dimensional area-preserving map. The success of the resonance approximation in describing adequately the behavior of the three-oscillator model is shown by comparison with a representative study of the classical dynamics of the full three-oscillator model. © 1992 American Institute of Physics.Local moment formation in disordered systems: A low-filling quasi-atomic limit
Journal of Physics: Condensed Matter 3:25 (1991) 4747-4752