The correlated pi-Hamiltonian of trans-butadiene as calculated by the ab initio effective valence shell Hamiltonian method: Comparison with semiempirical models
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lee, Yoon Sup | ko |
| dc.contributor.author | Freed, K.F. | ko |
| dc.contributor.author | Sun, H. | ko |
| dc.contributor.author | Yeager, D.L. | ko |
| dc.date.accessioned | 2013-02-24T10:58:53Z | - |
| dc.date.available | 2013-02-24T10:58:53Z | - |
| dc.date.created | 2012-02-06 | - |
| dc.date.created | 2012-02-06 | - |
| dc.date.issued | 1983 | - |
| dc.identifier.citation | THE JOURNAL OF CHEMICAL PHYSICS, v.79, no.8, pp.3862 - 3873 | - |
| dc.identifier.issn | 0021-9606 | - |
| dc.identifier.uri | http://hdl.handle.net/10203/56655 | - |
| dc.description.abstract | The pi-electron Hamiltonian ℋ π of trans-butadiene is calculated using the effective Hamiltonian quasidegenerate many-body perturbation theory formalism to include | - |
| dc.language | English | - |
| dc.publisher | American Institute of Physics | - |
| dc.title | The correlated pi-Hamiltonian of trans-butadiene as calculated by the ab initio effective valence shell Hamiltonian method: Comparison with semiempirical models | - |
| dc.type | Article | - |
| dc.identifier.scopusid | 2-s2.0-36749107299 | - |
| dc.type.rims | ART | - |
| dc.citation.volume | 79 | - |
| dc.citation.issue | 8 | - |
| dc.citation.beginningpage | 3862 | - |
| dc.citation.endingpage | 3873 | - |
| dc.citation.publicationname | THE JOURNAL OF CHEMICAL PHYSICS | - |
| dc.contributor.localauthor | Lee, Yoon Sup | - |
| dc.contributor.nonIdAuthor | Freed, K.F. | - |
| dc.contributor.nonIdAuthor | Sun, H. | - |
| dc.contributor.nonIdAuthor | Yeager, D.L. | - |
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