蒽醌化合物的计算研究要点.docVIP

蒽醌化合物摘 要构型（FMO），为化合物Calculation and research on the anthraquinone compounds ABSTRACT 全屏阅读 关闭全屏阅读 Through theoretical analysis and calculation of the semi-empirical method, at different levels of anthraquinone, alpha anthraquinone sulfonic acid, beta anthraquinone sulfonic acid, 1, 5 - anthraquinone disulfonic acid, 1, 8 - anthraquinone disulfonic acid, 2, 6 - anthraquinone disulfonic acid, 2, 7 - anthraquinone disulfonic acid anthraquinone compounds such as molecular geometry optimization, the bond length, bond Angle, frequency, charge, dipole moment, molecular orbital (FMO), electrostatic