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http://nopr.niscpr.res.in/handle/123456789/46020Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sen, B K | - |
| dc.contributor.author | Majee, B | - |
| dc.date.accessioned | 2019-03-18T08:54:18Z | - |
| dc.date.available | 2019-03-18T08:54:18Z | - |
| dc.date.issued | 1992-01 | - |
| dc.identifier.issn | 0975-0975(Online); 0376-4710(Print) | - |
| dc.identifier.uri | http://nopr.niscair.res.in/handle/123456789/46020 | - |
| dc.description | 1-5 | en_US |
| dc.description.abstract | The charge distributions, dipole moments and J-J coupling constants of some simple σ-bonded molecules have been calculated using a newly developed method within the framework of bond-orbital SCFMO approach that includes only the theoretically justified parameters and optimised hybrid orbitals. The results agree well with ab initio and some semi-empirical results. The computing times are extremely short. | 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.31A(01) [January 1992] | en_US |
| dc.title | A bond orbital approach to theoretical studies of molecular properties from a fully localised SCF method | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJC-A Vol.31A(01) [January 1992] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJC 31A(1) 1-5.pdf | 3.84 MB | Adobe PDF | View/Open |
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