Numerical Analysis of Quantum Mechanical ∇<i>B </i>Drift II
نویسندگان
چکیده
منابع مشابه
Topological analysis and Quantum mechanical structure of Ozone
Topological analysis has been performed on the total electron density of the two forms of Ozonemolecule,C2V and D3H ,to investigate the nature of chemical bonds ,molecular structure , atomiccharges and electrical properties. While these concepts have been completely discussed usingclassical models the emphasize in this work is based on Quantum Theory of Atoms in Molecules(QTAIM). Because the D3...
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Given any structure, we seek to find the solution of mechanical problem as precisely and efficiently as possible. Within this condition, the BEM is robust and promising development, standing out in the analysis of cases with occurrence of large stress gradients, as in problems of fracture mechanics. Moreover, in BEM the modeling of infinite means is performed naturally, without the use of appro...
متن کاملtopological analysis and quantum mechanical structure of ozone
topological analysis has been performed on the total electron density of the two forms of ozonemolecule,c2v and d3h ,to investigate the nature of chemical bonds ,molecular structure , atomiccharges and electrical properties. while these concepts have been completely discussed usingclassical models the emphasize in this work is based on quantum theory of atoms in molecules(qtaim). because the d3...
متن کاملNumerical Analysis II
General references: S.D. Conte & C. de Boor, Elementary Numerical Analysis: An Algorithmic Approach, Third edition, 1981. McGraw-Hill. L.F. Shampine, R.C. Allen, Jr & S. Pruess, Fundamentals of Numerical Computing, 1997. Wiley. This course is concerned with the same problems as Numerical Analysis I, but the mathematical content is greater. In the interests of simplicity and brevity, the use of ...
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Oxaliplatinium is an anticancer drug, used in chemotherapy. To investigate the oxaliplatinium structure based on frontier orbital analysis, thermodynamic analysis and natural bond orbital (NBO) theory is the main objective of the present research. The calculated HOMO and LUMO energies show that charge transfer occurs within molecule. The NBO charges, the values of electric dipole moment (µ) of ...
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ژورنال
عنوان ژورنال: Plasma and Fusion Research
سال: 2012
ISSN: 1880-6821
DOI: 10.1585/pfr.7.2401034