Titlebook: Nuclear Magnetic Shieldings and Molecular Structure; J. A. Tossell Book 1993 Springer Science+Business Media Dordrecht 1993 NMR.Substituti

obsess

书目名称Nuclear Magnetic Shieldings and Molecular Structure影响因子(影响力)




书目名称Nuclear Magnetic Shieldings and Molecular Structure影响因子(影响力)学科排名




书目名称Nuclear Magnetic Shieldings and Molecular Structure网络公开度




书目名称Nuclear Magnetic Shieldings and Molecular Structure网络公开度学科排名




书目名称Nuclear Magnetic Shieldings and Molecular Structure被引频次




书目名称Nuclear Magnetic Shieldings and Molecular Structure被引频次学科排名




书目名称Nuclear Magnetic Shieldings and Molecular Structure年度引用




书目名称Nuclear Magnetic Shieldings and Molecular Structure年度引用学科排名




书目名称Nuclear Magnetic Shieldings and Molecular Structure读者反馈




书目名称Nuclear Magnetic Shieldings and Molecular Structure读者反馈学科排名

异端

Detoxification

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代理人

有花

Intra- and Intermolecular Electrial Effects on Nuclear Magnetic Resonance, Nuclear Quadrupole Resonathe effects of these interactions on molecular properties are accurately determined by properties which can be calculated by analytical differentiation at the SCF level with Derivative Hartree-Fock (DHF) theory. Several applications of this model are compared with experiment.

OVERT

The IGLO method. Recent developmentswith MC-IGLO are presented, e.g. on the dependence of chemical shifts on geometry, on idealized annulenes and the limits of the Spiesecke-Schneider relation, on the heavy-atom effect, the shielding along the potential curve of He., and generally on a comparision of MC-IGLO with SCF-IGLO.

palliative-care

Electronic Current Density Induced by Magnetic Fields and Magnetic Moments in Molecules evaluated via approximate coupled Hartree-Fock perturbation theory. Shubnikov theory of magnetic groups has been examined in Sec. 3 to predict the essential features of the current density vector field. The results of large basis set calculations on benzene and borazine are reported in Sec. 4.

不能平静

Electronic Mechanisms of Metal Chemical Shifts from Ab Initio Theoryexes, and p-excitation mechanism for s.p. metal complexes. Though the paramagnetic term is the origin for most complexes, the chemical shifts of the Ga and In (s.p.) halides are primarily determined by the diamagnetic term, and therefore by the structural factors (geometry and nuclear charges) alone.

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