您要查找的是不是：
- Hǖckel方法extend Htickel method
- Hückel方法extend Hückel method
- Mulliken布居Mulliken's overlap population
- Mulliken聚居数Mulliken population
- Mulliken集居数的基本关系BASIC RELATIONSHIP OF THE MULLIKEN POPULATION ANALYSIS
- 介绍了当前计算基态和激发态偶极矩和Mulliken集居数的方法,如HF, DFT以及CASSCF方法等。The popular methods to calculate the dipole moments and Mulliken populations of the ground and excited states are introduced, such as HF, DFT and CASSCF methods.
- H桥H-bridge
- H-2H-2
- h形H-shaped
- 最后对以上四种结构进行Mulliken电荷和自旋聚居数分析，发现：CF_3的平均带电量随着CF_3个数的增多呈增加趋势。Finally, we focused on the analysis of the Mulliken charge and the net spin populations. The different CF_3 was discovered with different charges, however, the average electron attachment for CF_3 groups are almost same only with small increasement along with the adding of CF_3 groups.
- H圈Hamihonian cycle
- 考虑了Cu+(NO)(NO)、Cu+(NO)(ON)及Cu+(ON)(ON)这三种构型,计算了它们的吸附能和Mulliken电荷,分析并预测了吸附后可能产生的物种.Three kinds of structures, Cu+(NO)(NO), Cu+(NO)(ON), and Cu+(ON)(ON), with singlet and triplet states, were considered. Their corresponding adsorption energies and Mulliken charges were calculated.
- HβHβ zeolite
- 用CNDO/2量子化学计算方法计算了血卟啉分子(HP)的基态和三重态的能级、本征函数、原子净电荷、Wiberg键级、Mulliken键级和自旋密度.In this paper,the energy level,molecular orbitals,net atomic electric charges,Wiberg bond orders,Mulliken bond orders and spin densities of the hemato-porphyrin ring in the ground state and the excited state have been calculated by means of the CNDO/2 method of quantum chemistry.
- H点h-point
- (h) 任何通信是(h) Any communication by
- H村H Village
- H序H order
- TPC-HTPC-H
- 阈值HThreshold H
