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Canadian Journal of Chemistry
Time-Dependent Density Functional Theory
Time-Dependent Density Functional Theory
| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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| 1 |
Material Type: Artigo
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Density functional theory investigation of the effect of axial coordination and annelation on the absorption spectroscopy of nickel(II) and vanadyl porphyrins relevant to bitumen and crude oilsStoyanov, Stanislav R ; Yin, Cindy-Xing ; Gray, Murray R ; Stryker, Jeffrey M ; Gusarov, Sergey ; Kovalenko, AndriyCanadian journal of chemistry, 2013-09, Vol.91 (9), p.872-878 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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Material Type: Artigo
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Investigation of excited-state intramolecular proton transfer coupled charge transfer reaction of paeonolHu, Shanshan ; Liu, Kun ; Li, Yuanzuo ; Ding, Qianqian ; Peng, Wei ; Chen, MaoduCanadian journal of chemistry, 2014-04, Vol.92 (4), p.274-278 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
| 3 |
Material Type: Artigo
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Theoretical study on the structure–property relationship of D–A–π–A-type dye-sensitized solar cells: π-bridge and the side alkyl chainZhu, Kai-Li ; Liu, Le-yan ; Geng, Zhi-YuanCanadian journal of chemistry, 2016-09, Vol.94 (9), p.794-801 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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Material Type: Artigo
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pH-related fluorescence quenching mechanism of pterin derivatives and the effects of 6-site substituentsLiu, Lei ; Sun, BingqingCanadian journal of chemistry, 2018-04, Vol.96 (4), p.404-410 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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Assunto
- Time Dependence (3)
- Density Functional Theory (3)
- Excitation (2)
- Properties (2)
- Théorie De La Fonctionnelle De La Densité Dépendante Du Temps (2)
- Observations (2)
- Absorption (2)
- Fluorescence (2)
- Chemical Properties (2)
- Architecture (1)
- Architecture D–a–π–a (1)
- Atomic Absorption Spectroscopy (1)
- Absorption Spectra (1)
- Annelation (1)
- Annélation Et Coordination Axiale (1)
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