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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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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2 |
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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3 |
Material Type: Artigo
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Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO2 Effects of laser intensities and molecular orientationsFowe, Emmanuel Penka ; Bandrauk, André DieterCanadian journal of chemistry, 2010-11, Vol.88 (11), p.1186-1194 [Periódico revisado por pares]Canadian Science PublishingTexto completo disponível |
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4 |
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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5 |
Material Type: Artigo
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Photoabsorption spectra from time-dependent auxiliary density functional theoryCarmona-Espmdola, Javier ; Koster, Andreas MCanadian journal of chemistry, 2013-09, Vol.91 (9), p.795-803 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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6 |
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 |
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7 |
Material Type: Artigo
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A theoretical study of hydration effects on structural stability and hydrogen-bonding dynamics of 2′-deoxyguanosine 5′-monophosphate with different negative chargesZhang, Weiping ; Zhang, XiaoyuCanadian journal of chemistry, 2013-02, Vol.91 (2), p.169-175 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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8 |
Material Type: Artigo
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Time-dependent density functional theory study on the electronic excited-state hydrogen bonding dynamics of BHC-nicotinamide in MeOH solutionCheng, Jinling ; Liu, DiCanadian journal of chemistry, 2013-04, Vol.91 (4), p.248-254 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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9 |
Material Type: Artigo
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Insight into the methylene C–H bond cleavage of ethylbenzene during ethylbenzene hydroxylation using EBDH as a catalyst, a DFT studyHabib, UzmaCanadian journal of chemistry, 2022-09, Vol.100 (9), p.676-687 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |
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10 |
Material Type: Artigo
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Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligandsBrahim, Sefia ; Brahim, Houari ; Humbel, Stéphane ; Rahmouni, AliCanadian journal of chemistry, 2020, Vol.98 (4), p.194-203 [Periódico revisado por pares]Ottawa: NRC Research PressTexto completo disponível |