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Research article

First published 2018-2

Quantum chemistry calculation for isopropyl nitrate hydrolysis reaction

Yong-Kang Chen, Ming-Hua Chen, Zhen-Tao An [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2012-7

Theoretical study of small clusters Au 3-4 on Au/SAPO-11 catalysts and their interactions with CO

Beulah Griffe, Joaquín L. Brito, Anibal Sierraalta

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2014-1

Theoretical study of small clusters Au 5-6 on Au/SAPO-11 catalysts and their interactions with CO

Beulah Griffe, Joaquín L. Brito, Anibal Sierraalta

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2017-2

Comparative theoretical study of Au 1-3 and Cu 1-3 clusters supported on SAPO-11 and their interactions with CO

Beulah Griffe, Joaquín L. Brito, Anibal Sierraalta

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2023-2

Quantum chemistry calculation and experimental research on the component proportion of black disperse dye

Jingsi Qiu, Yue Liu

Textile Research Journal

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Research article

First published 2014-6

The Unimolecular Chemistry of Protonated and Deprotonated 2,2-Dinitroethene-1,1-Diamine (FOX-7) Studied by Tandem Mass Spectrometry and Computational Chemistry

Ján Žabka, Ludmila Šimková, Zdeněk Jalový [...]

European Journal of Mass Spectrometry

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Research article

First published 1999-5

Role of inorganic and theoretical chemistry in ceramics: Past,present,and future

L.L. Hench

Advances in Applied Ceramics: Structural,Functional and Bioceramics

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Research article

First published 2012-9

Computation of Rate Constants for Some Chlorination Reactions of Mercury Atoms during Combustion

Wang Qing, Yang Bowen, Bai Jingru

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2007-11

Molecular modeling of bioactive selenium compounds

Craig A. Bayse, Sonia Antony

Main Group Chemistry

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Research article

First published 2004-7

Theoretical investigation of the interaction of uracil and mono hydrated uracil – water complexes with alkali metals

Reza Ghiasi, Majid Monajjem, Farah Asadian [...]

Journal of Chemical Research

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