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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...
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| Published in: | J Res Natl Inst Stand Technol |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
[Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology
1998
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4890945/ https://ncbi.nlm.nih.gov/pubmed/28009365 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.6028/jres.103.013 |
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