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Articles (3)

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1-3 of 3 results for M06-2X/6-31g(d) level

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Select article: Quantum mechanical investigations of base-catalyzed cycloaddition reaction between phenylacetylene and azidobenzene

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Research article

First published 2021-5

Quantum mechanical investigations of base-catalyzed cycloaddition reaction between phenylacetylene and azidobenzene

Mohammad Abd Al-Hakim Badawi, Sultan T Abu-Orabi

Journal of Chemical Research

Select article: Calculations of hydrogenation enthalpies of hydrocarbons by M06-2X/CBS extrapolated level in the gas phase

Free access

Research article

First published 2020-11

Calculations of hydrogenation enthalpies of hydrocarbons by M06-2X/CBS extrapolated level in the gas phase

AA Khairbek, M Abd Al-Hakim Badawi

Journal of Chemical Research

Select article: The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural,electronic,and non-linear optic and spectroscopic properties

Free access

Research article

First published 2019-11

The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural,electronic,and non-linear optic and spectroscopic properties

Goncagül Serdaroğlu, Nesimi Uludağ

Journal of Chemical Research

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