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Accurate Ab Initio Calculation of Molecular Constants
Molecular constants have been computed for the ground states (2)∏ of (17)OH and (1)Σ of (107)AgH(+). The valence-bond method and advanced computational technique were used to perform all-electron ab initio calculation of molecular electronic structures. The basic idea behind the model is to introduc...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
[Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology
1998
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4890945/ https://www.ncbi.nlm.nih.gov/pubmed/28009365 http://dx.doi.org/10.6028/jres.103.013 |