inorganic chemical system.In this paper we listed some specific instances about the applications of the lowest energy principle and discussed the importance of it in the research of molecular structure and properties,in addition,the relationship between the symmetry and the lowest energy principle was ...
A free-energy principle has been proposed recently that accounts for action, perception and learning. This Review looks at some key brain theories in the biological (for example, neural Darwinism) and physical (for example, information theory and optimal control theory) sciences from the free-energ...
The Common Extremalities in Biology and Physics: Maximum Energy Dissipation Principle in Chemistry, Biology, Physics and Evolution - Adam MorozForeword. Acknowledgements. Introduction. Electricity Inside Us. Heart Pulse. Crocodile Tears and Other Liquids. Inhale Deeper. Hunt for Cells in an Electric ...
The electronic properties of 3C-SiC doped with different contents of Ni are investigated by using first-principles calculations.It is observed that the non-filled impurity energy levels in the band-gap region increase with increasing Ni content,which subsequently results in an enhancement of electrical...
State Key Laboratory of Organic-Inorganic Composites, Beijing Key Laboratory of Energy Environmental Catalysis, Beijing University of Chemical Technology, Beijing, China Daojian Cheng & Dapeng Cao Department of Chemistry, Department of Chemical & Biomolecular Engineering, and Department of Mechanical & Mate...
Chemistry: Mixtures of Liquids/Solutions/Composition, Molar Refractivity Again, this is a big industrial application area with the Abbe refractometer being extensively utilized. The Lorentz–Lorenz equation defines a term known as the molecularrefractivityor molar refraction, [R]: ...
ELECTRONIC-STRUCTURE CALCULATIONSFERMI TYPE THEORIESHARTREE-FOCK EQUATIONSMOLECULAR QUANTUM-CHEMISTRYMINIMUM POTENTIAL-ENERGYCONCENTRATION-COMPACTNESS PRINCIPLE... C Le,B And,PL Lions - 《Bulletin of the American Mathematical Society》 被引量: 198发表: 2005年 Computing semi-classical quantum dynamics with Ha...
In this article we explain a difficult aspect of computational chemistry: calculating accurate interaction energy by correcting for basis set superposition error and fragment relaxation. There are four fundamental methods to calculate an interaction energy using ab initio theory, two of which take into ...
In order to study the energy levels of ZnSTe alloy in Te dilute limit, we have calculated large ZnS supercells with up to 4096 atoms containing one or two Te atoms. Instead of doing fully self-consistent LDA calculations for such large systems, the charge densities of the large supercells...
NS Bayliss,EG Mcrae - 《Journal of Physical Chemistry》 被引量: 586发表: 1954年 Role of Kinetic Energy in the Franck–Condon Principle During an electronic transition in a molecule the nuclear positions and momenta (hence kinetic energies) both tend to remain fixed according to the Franck .....