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1 |
Material Type: Artigo
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Benchmarking DFT‑D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling FactorsHanson-Heine, Magnus W. DThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (45), p.9800-9808 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
2 |
Material Type: Livro
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Formeln und Sätze für die speziellen Funktionen der mathematischen PhysikWilhelm Magnus 1907- Fritz OberhettingerBerlin Springer 1948Localização: ICMC - Inst. Ciên. Mat. Computação (00A06 M199f e.1 ) e outros locais(Acessar) |
3 |
Material Type: Artigo
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Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinatesHanson-Heine, Magnus W DThe Journal of chemical physics, 2015-10, Vol.143 (16), p.164104-164104 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
4 |
Material Type: Livro
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Formulas and theorems for the functions of mathematical physicsWilhelm Magnus 1907- Fritz OberhettingerNew York Chelsea Pub. Co. 1954, c1949Localização: ICMC - Inst. Ciên. Mat. Computação (00A69 M199f ) e outros locais(Acessar) |
5 |
Material Type: Livro
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Formulas and theorems for the special functions of mathematical physicsWilhelm Magnus 1907- Fritz Oberhettinger; Raj Pal SoniBerlin New York Springer-Verlag 1966Localização: ICMC - Inst. Ciên. Mat. Computação (00A69 M199ft.3 e.1 ) e outros locais(Acessar) |
6 |
Material Type: Artigo
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Reduced Two-Electron Interactions in Anharmonic Molecular Vibrational Calculations Involving Localized Normal CoordinatesHanson-Heine, Magnus W. DJournal of chemical theory and computation, 2021-07, Vol.17 (7), p.4383-4391 [Periódico revisado por pares]Washington: American Chemical SocietyTexto completo disponível |
7 |
Material Type: Artigo
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Static Electron Correlation in Anharmonic Molecular Vibrations: A Hybrid TAO-DFT StudyHanson-Heine, Magnus W. D.The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-10, Vol.126 (40), p.7273-7282 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
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Metal sandwich and ion complexes in cyclacene nanobeltsHanson-Heine, Magnus W. D.Molecular physics, 2023-04, Vol.121 (7-8) [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
9 |
Material Type: Artigo
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Dewar Benzenoids Discovered In Carbon NanobeltsHanson-Heine, Magnus W. D ; Rogers, David M ; Woodward, Simon ; Hirst, Jonathan DThe journal of physical chemistry letters, 2020-05, Vol.11 (10), p.3769-3772 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
10 |
Material Type: Artigo
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Intermediate vibrational coordinate localization with harmonic coupling constraintsHanson-Heine, Magnus W. D.The Journal of chemical physics, 2016-05, Vol.144 (20), p.204116-204116 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |