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Reaction Kinetics and Catalysis Letters, Vol. 79, Iss. 2, 2003-07 ,pp. : 263-269

Springer Publishing Company

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A quasi-classical trajectory study of the reagent initial rotation quantum state effect on the reaction He + T₂⁺ → HeT⁺ + T using an improved ab initio potential energy surface

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Canadian Journal of Chemistry, Vol. 90, Iss. 2, 2012-02 ,pp. : 230-236

NRC Research Press

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A volcano-type relationship between the adsorption energy of thiophene on promoted MoS 2 cluster-model catalysts and the experimental HDS activity: ab initio density functional study

By Orita H.   Uchida K.   Itoh N.  

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Ab Initio and DFT Study of Chinesin I and Chinesin II

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Current Physical Chemistry, Vol. 5, Iss. 4, 2015-12 ,pp. : 274-293

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Ab initio study of the reaction between silylene germylidene (H 2 Si = Ge:) and ethene to form a bis-heterocyclic compound containing Si and Ge

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