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Polarizability of Molecular Orbitals

โœ Scribed by Smith, Douglas A.; Mura, Michael E.


Book ID
118217351
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
308 KB
Volume
98
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES


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The static polarizabilities, or, of various xanthone analogues (1-19) were estimated by ab initio molecular orbital calculations using the coupled perturbed Hartree-Fock (CPHF) method. The influence of basis sets on the calculated values was examined in detail and the reliability of the ECP approach

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many Chemical Phenomena Cannot Be Explained By Classical Physics And Need Quantum Mechanics For A Full Understanding. However These Calculations Are Complicated And Their Results Are Not Always Easily Translated Into Chemical Language. For Most Practical Purposes Chemists Need Simple Chemically Tran