The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and t... The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and the rim π-bonds with larger localization form reactive regions for formation of buckminsterfullerene.展开更多
The penalty and hybrid methods are being much used in dealing with the general incompatible element, With the penalty method convergence can always be assured, but comparatively speaking its accuracy is lower, and the...The penalty and hybrid methods are being much used in dealing with the general incompatible element, With the penalty method convergence can always be assured, but comparatively speaking its accuracy is lower, and the condition number and sparsity are not so good. With the hybrid method, convergence can be assured only when the rank condition is satisfied. So the construction of the element is extremely limited. This paper presents the mixed hybrid penalty element method, which combines the two methods together. And it is proved theoretically that this new method is convergent, and it has the same accuracy, condition number and sparsity as the compatible element. That is to say, they are optimal to each other.Finally, a new triangle element for plate bending with nine freedom degrees is constructed with this method (three degreesof freedom are given on each corner -- one displacement and tworotations), the calculating formula of the element stiffness matrix is almost the same as that of the old triangle element for plate bending with nine degrees of freedom But it is converged to true solution with arbitrary irregrlar triangle subdivision. If the true solution u?H3 with this method the linear and quadratic rates of convergence are obtianed for three bending moments and for the displacement and two rotations respectively.展开更多
The ternary complexes containing Cu(II),L-His and nucleotide (5'-GMP and 5'-IMP)were synthesized and characterized.IR and ~1H NMR spectra show that Cu(II)binds to carboxylate oxygen and imidazole nitrogen of L...The ternary complexes containing Cu(II),L-His and nucleotide (5'-GMP and 5'-IMP)were synthesized and characterized.IR and ~1H NMR spectra show that Cu(II)binds to carboxylate oxygen and imidazole nitrogen of L-His and purine N_7 of 5'-GMP and 5'-IMP.The interaction of Cu(II)with Po_3^(2-)of 5'-GMP is present,but that for 5'-IMP is not present.展开更多
文摘 The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and the rim π-bonds with larger localization form reactive regions for formation of buckminsterfullerene.
文摘The penalty and hybrid methods are being much used in dealing with the general incompatible element, With the penalty method convergence can always be assured, but comparatively speaking its accuracy is lower, and the condition number and sparsity are not so good. With the hybrid method, convergence can be assured only when the rank condition is satisfied. So the construction of the element is extremely limited. This paper presents the mixed hybrid penalty element method, which combines the two methods together. And it is proved theoretically that this new method is convergent, and it has the same accuracy, condition number and sparsity as the compatible element. That is to say, they are optimal to each other.Finally, a new triangle element for plate bending with nine freedom degrees is constructed with this method (three degreesof freedom are given on each corner -- one displacement and tworotations), the calculating formula of the element stiffness matrix is almost the same as that of the old triangle element for plate bending with nine degrees of freedom But it is converged to true solution with arbitrary irregrlar triangle subdivision. If the true solution u?H3 with this method the linear and quadratic rates of convergence are obtianed for three bending moments and for the displacement and two rotations respectively.
文摘The ternary complexes containing Cu(II),L-His and nucleotide (5'-GMP and 5'-IMP)were synthesized and characterized.IR and ~1H NMR spectra show that Cu(II)binds to carboxylate oxygen and imidazole nitrogen of L-His and purine N_7 of 5'-GMP and 5'-IMP.The interaction of Cu(II)with Po_3^(2-)of 5'-GMP is present,but that for 5'-IMP is not present.
