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Showing items 1-6 of 6  (1 Page(s) Totally)
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Institution Date Title Author
臺大學術典藏 2019-09-10T09:28:04Z Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies YI-PEI LI;Head-Gordon, M;Bell, AT;Sharada, SM;Gomes, J; YI-PEI LI; Gomes, J; Sharada, SM; Bell, AT; Head-Gordon, M
臺大學術典藏 2019-09-10T09:28:04Z Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies YI-PEI LI;Head-Gordon, M;Bell, AT;Sharada, SM;Gomes, J; YI-PEI LI; Gomes, J; Sharada, SM; Bell, AT; Head-Gordon, M
臺大學術典藏 2019-09-10T09:19:20Z Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA Li, YP;Bell, AT;Head-Gordon, M; Li, YP; Head-Gordon, M; Bell, AT
臺大學術典藏 2019-09-10T09:19:20Z Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA Li, YP;Bell, AT;Head-Gordon, M; Li, YP; Head-Gordon, M; Bell, AT
臺大學術典藏 2019-09-10T09:16:48Z Propene Metathesis over Supported Tungsten Oxide Catalysts: A Study of Active Site Formation Li, YP;Bell, AT;Howell, JG; Howell, JG; Li, YP; Bell, AT
臺大學術典藏 2019-09-10T09:16:48Z Propene Metathesis over Supported Tungsten Oxide Catalysts: A Study of Active Site Formation Li, YP;Bell, AT;Howell, JG; Howell, JG; Li, YP; Bell, AT

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