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State and Parameter Estimation of a CSTR
(International Federation of Automatic Control, 2016)
Quantum information from selected elementary chemical reactions: Maximum entangled transition state
(John Wiley & Sons Inc, 2015-10)
Quantum entanglement features exhibited by the reaction path of some selected elementary chemical reactions: hydrogenic abstraction, nucleophilic hydrogenic substitution, three-atom insertion reaction of silylene into ...
Female preferences based on male nutritional chemical traits
(Springer, 2014)
Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
(PEKING UNIV PRESS, 2018)
Chemical reactivity towards electron transfer is captured by the Fukui function. However, this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states. In such a case, the first-order ...
Electronic Structure and Chemical Bonding in the Lowest Electronic States of TcN
(AMER CHEMICAL SOC, 2009)
Multiconfiguration second-order perturbation theory, with the inclusion of relativistic effects and spin-orbit Coupling, was employed to investigate the nature of the ground and low-lying Lambda-S and Omega states of the ...
The physical and chemical characterization of some ground and surface waters in São Paulo state, Brazil
(2011-01-01)
For many years, environmentalists, humanitarians, government agencies, politicians, educators, and others have expressed the concern for protecting the hydrological resources against pollutants. São Paulo is the most ...
Chemical response functions in degenerate states and extended systems
(2016)
A system in a spatially (quasi-)degenerate ground state responds in a qualitatively
different way to a change in the external potential. Remarkably, for degenerate states, the
functional derivatives of the energy with ...
State and unknown input estimation in a CSTR using higher-order sliding mode observer
(Institute of Electrical and Electronics Engineers, 2011-10-01)
State and Parameter Estimation of a CSTR
(International Federation of Automatic Control, 2012-10)