Comptes Rendus Chimie

CV3 - Editorial Board - English

Andrea Di Giuseppe

Ricardo Castarlenas

Luis A. Oro

Mechanistic considerations on catalytic H/D exchange mediated by organometallic transition metal complexes

Ruifa Jin

Theoretical study on optical and charge transport properties of star-shaped molecules with 1,3,5-triazine-core derivatives as organic light-emitting and organic solar cells materials 
Ruifa Jin*
Inner Mongolia Key Laboratory of Photoelectric Functional Materials, College of Chemistry and Chemical Engineering, Chifeng University, Chifeng 024000, China.
Index
Table SI The HOMOs-1, HOMOs-2, and LUMOs+1 contributions of individual fragments (in %) to the FMOs of the investigated molecules.
Fig. SI. The distribution patterns of HOMOs-1 HOMOs-2, and LUMOs+1 for the investigated molecules.


Table SI 
The HOMOs-1 HOMOs-2, and LUMOs+1 contributions of individual fragments (in %) to the FMOs of the investigated molecules.
	HOMOs-1		HOMOs-2		LUMOs+1
Species	TZa	CBb	ARc		TZa	CBb	ARc		TZa	CBb	ARc
1a	12.7	44.3	43.0		37.1	42.2	20.5		37.2	42.4	20.4
1b	11.6	40.6	47.8		11.6	40.6	47.8		42.3	44.5	13.2
1c	16.1	56.8	27.1		16.2	56.8	27.0		21.5	27.3	51.3
1d	12.1	41.0	46.9		12.1	41.0	47.0		36.0	41.2	22.8
2a	14.4	46.3	39.4		14.4	46.3	39.4		42.1	34.1	23.8
2b	13.5	43.1	43.4		13.5	43.1	43.4		47.0	36.2	16.8
2c	16.6	55.4	28.0		16.6	55.4	28.0		20.7	21.1	59.3
2d	13.6	42.8	43.6		13.6	42.8	43.6		41.1	33.5	25.4
a TZ: 1,3,5-triazine moieties; b CB: conjugate bridge moieties; c AR: aromatic moieties




Fig. SI. The distribution patterns of HOMOs-1 HOMOs-2, and LUMOs+1 for the investigated molecules.



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Theoretical study of the optical and charge transport properties of star-shaped molecules with 1,3,5-triazine-core derivatives as organic light-emitting and organic solar cells materials

Edyta Wudarska

Ewa Chrzescijanska

Elzbieta Kusmierek

Jacek Rynkowski

Voltammetric study of the behaviour of N-acetyl-p-aminophenol in aqueous solutions at a platinum electrode

Mejdi Jeguirim

Lionel Limousy

International Chemical Engineering Congress 2013: From fundamentals to applied chemistry and biochemistry

Magdalena Bonarowska

Zbigniew Karpiński

Robert Kosydar

Tomasz Szumełda

Alicja Drelinkiewicz

Hydrodechlorination of CCl4 over carbon-supported palladium–gold catalysts prepared by the reverse “water-in-oil” microemulsion method

Blo
No
C. R. Chimie 18 (2015) 1193–1196
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Fourneyron, Benoı̂t (1 November 1802–8 July 1867), French inventor. In 1832, he patented the first water
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Ioana Fechete
Institut de chimie et procédés pour l’énergie,
l’environnement et la santé (ICPEES), UMR 7515 CNRS,
université de Strasbourg, 25, rue Becquerel, 67087 Strasbourg cedex 2, France
E-mail address: ifechete@unistra.fr
Available online 21 October 2015
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November

Wei-Jie Chi

Ze-Sheng Li

Molecular design of prismane-based potential energetic materials with high detonation performance and low impact sensitivity

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CV3 - Editorial Board - English

Mechanistic considerations on catalytic H/D exchange mediated by organometallic transition metal complexes

Theoretical study of the optical and charge transport properties of star-shaped molecules with 1,3,5-triazine-core derivatives as organic light-emitting and organic solar cells materials

Voltammetric study of the behaviour of <i>N</i>-acetyl-<i>p</i>-aminophenol in aqueous solutions at a platinum electrode

International Chemical Engineering Congress 2013: From fundamentals to applied chemistry and biochemistry

Hydrodechlorination of CCl<sub>4</sub> over carbon-supported palladium–gold catalysts prepared by the reverse “water-in-oil” microemulsion method

November

Molecular design of prismane-based potential energetic materials with high detonation performance and low impact sensitivity

CV3 - Editorial Board - English

Editorial Board - French

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