Comparison of approximate INDO [intermediate neglect of differential overlap] and ab initio wave functions
Author:
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/j100601a001
Cited by 10 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Some Aspects of the Quantumchemical Interpretation of Integrated Intensities of Infrared Absorption Bands;Theoretical Models of Chemical Bonding;1991
2. The electron projection function: Integrated electron densities from NDO-type wave functions;Computers & Chemistry;1985-01
3. Hydrogenic orbitals as minimum‐basis functions for SCF calculations;International Journal of Quantum Chemistry;1980-10
4. A CNDO study of the electronic structure of faujasite type six-rings as influenced by the placement of magnesium and by the isomorphous substitution of aluminum for silicon;The Journal of Physical Chemistry;1979-04
5. Ab initio and LMO studies of integrated intensities of infrared absorption bands of polyatomic molecules. Part 1.—Method, application to cyanoacetylene and comparison with semi-empirical “all-valence” theories;J. Chem. Soc., Faraday Trans. 2;1979
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