Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.
The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.
Abstract A method is suggested to determine the absolute configuration of ent kaurene diterpenoids by analysing the circular dichroism spectral data of 13 hydroxy ent kaurenoids.
The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.
In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.
Typically landscapes or seascapes, with sky occupying nearly half of the composition, Luminist works are distinguished by cool, clear colors and meticulously detailed objects modeled by light.
Then ultrasonic wave and solvent were exerted into the crystallizable solution to change its natures,adjust the formation of crystal water and affect the change of crystal configuration.
In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.
So convert it into wizard money then convert it back into dollars, then factor in structural macroeconomics, bank loan fees, national fiscal polices...