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1
pH-related fluorescence quenching mechanism of pterin derivatives and the effects of 6-site substituents
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pH-related fluorescence quenching mechanism of pterin derivatives and the effects of 6-site substituents

Liu, Lei ; Sun, Bingqing

Canadian journal of chemistry, 2018, Vol.96 (4), p.404-410 [Periódico revisado por pares]

Ottawa: NRC Research Press

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2
Theoretical study on the structure–property relationship of D–A–π–A-type dye-sensitized solar cells: π-bridge and the side alkyl chain
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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 chain

Zhu, Kai-Li ; Liu, Le-yan ; Geng, Zhi-Yuan

Canadian journal of chemistry, 2016, Vol.94 (9), p.794-801 [Periódico revisado por pares]

Ottawa: NRC Research Press

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3
Investigation of excited-state intramolecular proton transfer coupled charge transfer reaction of paeonol
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Investigation of excited-state intramolecular proton transfer coupled charge transfer reaction of paeonol

Hu, Shanshan ; Liu, Kun ; Li, Yuanzuo ; Ding, Qianqian ; Peng, Wei ; Chen, Maodu

Canadian journal of chemistry, 2014, Vol.92 (4), p.274-278 [Periódico revisado por pares]

Ottawa: NRC Research Press

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4
Photoabsorption spectra from time-dependent auxiliary density functional theory
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Photoabsorption spectra from time-dependent auxiliary density functional theory

Carmona-Espmdola, Javier ; Koster, Andreas M

Canadian journal of chemistry, 2013, Vol.91 (9), p.795-803 [Periódico revisado por pares]

Ottawa: NRC Research Press

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5
A theoretical study of hydration effects on structural stability and hydrogen-bonding dynamics of 2′-deoxyguanosine 5′-monophosphate with different negative charges
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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 charges

Zhang, Weiping ; Zhang, Xiaoyu

Canadian journal of chemistry, 2013, Vol.91 (2), p.169-175 [Periódico revisado por pares]

Ottawa: NRC Research Press

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6
Time-dependent density functional theory study on the electronic excited-state hydrogen bonding dynamics of BHC-nicotinamide in MeOH solution
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Time-dependent density functional theory study on the electronic excited-state hydrogen bonding dynamics of BHC-nicotinamide in MeOH solution

Cheng, Jinling ; Liu, Di

Canadian journal of chemistry, 2013, Vol.91 (4), p.248-254 [Periódico revisado por pares]

Ottawa: NRC Research Press

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7
A density functional theory and spectroscopic study of intramolecular quenching of metal-to-ligand charge-transfer excited states in some mono-bipyridine ruthenium(II) complexes
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A density functional theory and spectroscopic study of intramolecular quenching of metal-to-ligand charge-transfer excited states in some mono-bipyridine ruthenium(II) complexes

Mazumder, Shivnath ; Thomas, Ryan A ; Lord, Richard L ; Schlegel, H. Bernhard ; Endicott, John F

Canadian journal of chemistry, 2014, Vol.92 (10), p.996-1009 [Periódico revisado por pares]

Ottawa: NRC Research Press

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8
Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligands
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Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligands

Brahim, Sefia ; Brahim, Houari ; Humbel, Stéphane ; Rahmouni, Ali

Canadian journal of chemistry, 2020, Vol.98 (4), p.194-203 [Periódico revisado por pares]

Ottawa: NRC Research Press

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9
A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I
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A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I

Wei, Qiang ; Wang, Jiyu ; Zhao, Meiyu ; Zhang, Meixia ; Song, Yuzhi ; Song, Peng

Canadian journal of chemistry, 2018, Vol.96 (1), p.83-88 [Periódico revisado por pares]

Ottawa: NRC Research Press

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10
Theoretical perspective on electronic structure and photophysical properties for three cyclometalated iridium(III) complexes bearing different substituent groups on the main ligands
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Theoretical perspective on electronic structure and photophysical properties for three cyclometalated iridium(III) complexes bearing different substituent groups on the main ligands

Han, Deming ; Wang, Chaoyu ; Fu, Shijie ; Li, Jingmei ; Lv, Shuhui ; Yu, Yuanhua

Canadian journal of chemistry, 2018, Vol.96 (1), p.18-23 [Periódico revisado por pares]

Ottawa: NRC Research Press

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