Explore bond orders. Learn the definition of bond order and see the formula to calculate bond order. Understand why the calculation of bond order...
Zhan C G. Maximum overlap population principle and direct calculation of bond order, valence and atomic charge[J].Journal of Molecular Structure:Theochem,1991.47-57.doi:10.1016/0166-1280(91)85202-I.Zhan C G. Maximum overlap population principle and direct calculation of bond order, valence and ...
The bond order of a molecule gives us a measure or index of the strength of the bonds that bind it. The bonds bind the atoms like a rubber band binding your two hands. A double-bond would mean that the rubber band is now folded in half and tied around your hands. Due to the stren...
We here introduce a concept of the HOMO repulsive bond order (Pp(HOMO)µv). Then it is calculated in addition to repulsive bond order (Ppµv) developed previously in this work. The result shows that both HOMO eigenvalues and the Pp(HOMO)µv are the useful and powerful quantities ...
A new algorithm for nonorthogonal ab initio valence bond calculation has been deduced based on the left-coset decomposition of the symmetric group S N ... J Li,W Wei - 《Theoretica Chimica Acta》 被引量: 65发表: 1994年 The n-order rogue waves of Fokas-Lenells equation Considering certain ...
债券的收益率计算（Bond yield calculation）Bond yields calculation How many people invest in bonds, the most concern is the bond yields. In order to accurately measure the bond yields, the general use of the bond yield index. Bond yields are the ratio of bond yields and investment principal, ...
A new method is described for the calculation of diatomic molecule wavefunctions. Two鈥恈enter molecular orbitals (MO's) are used directly, and all integra... HFS Iii - 《Journal of Chemical Physics》 被引量: 53发表: 1970年 Degradation of thin oxides during electrical stress A bond-breaking...
In cis-peptides, the 4-bond coupling is predicted to be as large as +2 Hz when the protons are in a W conformation, whereas, in trans-peptides the 4-bond coupling is predicted to be always less than ±.5 Hz. The predicted conformational dependence of the 4-bond proton-proton ...
On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed. 在量子化学计算基础上,进一步对其键级、键长等结构参数进行了分析。 lib.cqvip.com 3. Quantum Chemical Calculation on Structure and Potential Energy Curve for the Ground State of Mol...
Valence bond (VB) theory and electron transfer (ET) theory are both widely applied throughout Chemical Science, and mostly thought of as independent approaches designed for different circumstances. At the simplest level, VB theory provides a basis for understanding where the electrons reside in a ...