Quantum Chemical Simulation of Relaxation and Thermally Stimulated Processes: a Vibration Excitation-relaxation Stochastic Optimization
2005 ◽
Vol 60
(11-12)
◽
pp. 797-804
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Keyword(s):
A new method for theoretical examination of thermal inter-conversions via the space structure vibration excitation-relaxation stochastic optimization method has been proposed. The software to perform implementation of the methodology has been developed and tested on a silica 27SiO2 cluster. A set of thermodynamically probable space structures of amorphous silica particles and temperatures of their inter-conversions has been simulated. The simulated space structures have been verified by comparison of calculated inelastic neutron scattering spectra of different highly dispersed silicas with experimental ones.
1989 ◽
Vol 162
(3)
◽
pp. 188-195
◽
2005 ◽
Vol 109
(15)
◽
pp. 3418-3424
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Keyword(s):
2020 ◽
Vol 16
(12)
◽
pp. 7702-7708
2002 ◽
Vol 4
(5)
◽
pp. 716-721
◽
1977 ◽
Vol 20
(1)
◽
pp. 89-92
◽
Keyword(s):
Keyword(s):
1998 ◽
Vol 102
(32)
◽
pp. 6177-6183
◽
1988 ◽
Vol 23
(5)
◽
pp. 647-651
◽
Keyword(s):
1979 ◽
Vol 35
(2)
◽
pp. 117-122
◽
Keyword(s):