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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Adhikari, D Dey | - |
| dc.contributor.author | Thakuria, T | - |
| dc.contributor.author | Medhi, C | - |
| dc.date.accessioned | 2012-12-31T20:28:42Z | - |
| dc.date.available | 2012-12-31T20:28:42Z | - |
| dc.date.issued | 2000-08 | - |
| dc.identifier.uri | http://hdl.handle.net/123456789/15493 | - |
| dc.description | 792-801 | en_US |
| dc.description.abstract | Metal affinities (MAs) of formaldehyde, acetaldehyde and formamide molecules have been calculated by MCSCF (OGM) method. Ground state metal affinities of the molecules are larger than excited state MAs. Mn+ induced proximity effect is prominent in acetaldehyde-metal ion and formamide-metal ion complexes. Bond orders and net charge densities on different atoms of the complexes are used to analyse geometrical relaxation due to complex formation. Li+, Na+ and Be2+ show spectral shift in the 1,3nπ* excited states. | en_US |
| dc.language.iso | en_US | en_US |
| dc.publisher | NISCAIR-CSIR, India | en_US |
| dc.rights |  CC Attribution-Noncommercial-No Derivative Works 2.5 India | en_US |
| dc.source | IJC-A Vol.39A(08) [August 2000] | en_US |
| dc.title | MCSCF calculations on metal ion (Li+, Na+, Be2+) affinities of a few carbonyl molecules in the ground and 1,3nπ* excited states | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJC-A Vol.39A(08) [August 2000] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 39A(8) 792-801.pdf | 1.82 MB | Adobe PDF | View/Open |
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