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What is Electronic Population Analysis in LCAO-MO about?

The article presents a systematic procedure for electronic population analysis using LCAO-MO molecular wave functions, focusing on the breakdown of electronic populations into gross atomic populations, net atomic populations, and overlap populations. It discusses the significance of these populations in understanding molecular bonding, antibonding characteristics, and the distribution of electronic charge among atoms. The findings are illustrated with examples from molecules like CO and H2O, highlighting th

Author

SubrahmanyamPattamatta

Language

EN