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Refinado por: Base de dados/Biblioteca: Royal Society Of Chemistry Journals 2008- remover
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1
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
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The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

Stepanović, S ; Angelone, D ; Gruden, M ; Swart, M

Organic & biomolecular chemistry, 2017, Vol.15 (37), p.7860-7868 [Periódico revisado por pares]

Royal Society of Chemistry (RSC)

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2
Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach
Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach
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Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach

El Bakouri, Ouissam ; Sola, Miquel ; Poater, Jordi

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (31), p.21102-21110 [Periódico revisado por pares]

Royal Society of Chemistry (RSC)

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3
Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach
Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach
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Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach

Saha, Sourav Kr ; Dutta, Alokdut ; Ghosh, Pritam ; Sukul, Dipankar ; Banerjee, Priyabrata

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (27), p.17898-17911 [Periódico revisado por pares]

England

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4
Molecular design of thermally activated delayed fluorescent emitters for narrowband orange-red OLEDs boosted by a cyano-functionalization strategy
Molecular design of thermally activated delayed fluorescent emitters for narrowband orange-red OLEDs boosted by a cyano-functionalization strategy
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Molecular design of thermally activated delayed fluorescent emitters for narrowband orange-red OLEDs boosted by a cyano-functionalization strategy

Liu, Yang ; Xiao, Xin ; Ran, You ; Bin, Zhengyang ; You, Jingsong

Chemical science (Cambridge), 2021-07, Vol.12 (27), p.948-9412 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
Where silylene-silicon centres matter in the activation of small molecules
Where silylene-silicon centres matter in the activation of small molecules
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Where silylene-silicon centres matter in the activation of small molecules

Shan, Changkai ; Yao, Shenglai ; Driess, Matthias

Chemical Society reviews, 2020-09, Vol.49 (18), p.6733-6754 [Periódico revisado por pares]

London: Royal Society of Chemistry

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6
Halogen bonds of halonium ions
Halogen bonds of halonium ions
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Halogen bonds of halonium ions

Turunen, Lotta ; Erdélyi, Máté

Chemical Society reviews, 2020-05, Vol.49 (9), p.2688-27 [Periódico revisado por pares]

England: Royal Society of Chemistry

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7
Single, double, and triple intercluster bonds: analyses of M2Au36(SR)24 (M = Au, Pd, Pt) as 14-, 12- and 10-ve superatomic molecules
Single, double, and triple intercluster bonds: analyses of M2Au36(SR)24 (M = Au, Pd, Pt) as 14-, 12- and 10-ve superatomic molecules
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Single, double, and triple intercluster bonds: analyses of M2Au36(SR)24 (M = Au, Pd, Pt) as 14-, 12- and 10-ve superatomic molecules

Muñoz-Castro, Alvaro

Chemical communications (Cambridge, England), 2019, Vol.55 (51), p.7307-7310 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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8
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
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Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals

Horn, Paul R ; Mao, Yuezhi ; Head-Gordon, Martin

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (33), p.2367-2379 [Periódico revisado por pares]

England

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9
Thiazolo[5,4-]thiazoles with a spirobifluorene moiety as novel D-π-A type organic hosts: design, synthesis, structure-property relationship and applications in electroluminescent devices
Thiazolo[5,4-]thiazoles with a spirobifluorene moiety as novel D-π-A type organic hosts: design, synthesis, structure-property relationship and applications in electroluminescent devices
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Thiazolo[5,4-]thiazoles with a spirobifluorene moiety as novel D-π-A type organic hosts: design, synthesis, structure-property relationship and applications in electroluminescent devices

Eckstein-Andicsová, Anita ; Tokárová, Zita ; Kozma, Erika ; Balogh, Róbert ; Vykydalová, Anna ; Mróz, Wojciech ; Tokár, Kamil

New journal of chemistry, 2023-06, Vol.47 (23), p.11165-11175 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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10
Small stoichiometric (MoS2)n clusters with the 1T phase
Small stoichiometric (MoS2)n clusters with the 1T phase
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Small stoichiometric (MoS2)n clusters with the 1T phase

Wang, Ya-Ya ; Deng, Jia-Jun ; Wang, Xin ; Che, Jian-Tao ; Ding, Xun-Lei

Physical chemistry chemical physics : PCCP, 2018-02, Vol.2 (9), p.6365-6373 [Periódico revisado por pares]

England: Royal Society of Chemistry

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