A general procedure to obtain quantum mechanical charge and bond order molecular parameters (Q703962)
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scientific article; zbMATH DE number 2126954
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
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| English | A general procedure to obtain quantum mechanical charge and bond order molecular parameters |
scientific article; zbMATH DE number 2126954 |
Statements
A general procedure to obtain quantum mechanical charge and bond order molecular parameters (English)
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12 January 2005
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Density analysis
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Mulliken populations
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atomic charges
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bond orders
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second order density
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projection operators
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expectation values
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0.8349431157112122
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0.7085300087928772
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0.7000053524971008
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0.6926205158233643
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0.6889095306396484
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