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Refinado por: Base de dados/Biblioteca: Aluminium Industry Abstracts remover assunto: Quantum Theory remover Physical Chemistry Chemical Physics : Pccp remover
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1
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies
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Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies

DILABIO, Gino A ; JOHNSON, Erin R ; OTERO-DE-LA-ROZA, Alberto

Physical chemistry chemical physics : PCCP, 2013-08, Vol.15 (31), p.12821-12828 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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2
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
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Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

Zhao, Jinfeng ; Chen, Junsheng ; Liu, Jianyong ; Hoffmann, Mark R

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (18), p.11990-11999 [Periódico revisado por pares]

England

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3
Impact of molecular solvophobicity vs. solvophilicity on device performances of dimeric perylene diimide based solution-processed non-fullerene organic solar cells
Impact of molecular solvophobicity vs. solvophilicity on device performances of dimeric perylene diimide based solution-processed non-fullerene organic solar cells
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Impact of molecular solvophobicity vs. solvophilicity on device performances of dimeric perylene diimide based solution-processed non-fullerene organic solar cells

Lu, Zhenhuan ; Zhang, Xin ; Zhan, Chuanlang ; Jiang, Bo ; Zhang, Xinliang ; Chen, Lili ; Yao, Jiannian

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (27), p.11375-11385 [Periódico revisado por pares]

England

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4
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes
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Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes

Luque, Noelia B ; Mujika, Jon I ; Rezabal, Elixabete ; Ugalde, Jesus M ; Lopez, Xabier

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (37), p.20107-20119 [Periódico revisado por pares]

England

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5
Complexes of tetracyclines with divalent metal cations investigated by stationary and femtosecond-pulsed techniques
Complexes of tetracyclines with divalent metal cations investigated by stationary and femtosecond-pulsed techniques
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Complexes of tetracyclines with divalent metal cations investigated by stationary and femtosecond-pulsed techniques

CARLOTTI, Benedetta ; CESARETTI, Alessio ; ELISEI, Fausto

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (2), p.823-834 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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6
Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution
Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution
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Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution

MUJIKA, J. I ; UGALDE, J. M ; LOPEZ, X

Physical chemistry chemical physics : PCCP, 2012-09, Vol.14 (36), p.12465-12475 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Intrinsic half-metallicity in fractal carbon nitride honeycomb lattices
Intrinsic half-metallicity in fractal carbon nitride honeycomb lattices
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Intrinsic half-metallicity in fractal carbon nitride honeycomb lattices

Wang, Aizhu ; Zhao, Mingwen

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (34), p.21837-21844 [Periódico revisado por pares]

England

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8
The interactions of methyl tert-butyl ether on high silica zeolites: a combined experimental and computational study
The interactions of methyl tert-butyl ether on high silica zeolites: a combined experimental and computational study
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The interactions of methyl tert-butyl ether on high silica zeolites: a combined experimental and computational study

SACCHETTO, V ; GATTI, G ; PAUL, G ; BRASCHI, I ; BERLIER, G ; COSSI, M ; MARCHESE, L ; BAGATIN, R ; BISIO, C

Physical chemistry chemical physics : PCCP, 2013-08, Vol.15 (32), p.13275-13287 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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