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Browsing by Author KUBO, M

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Issue DateTitleAuthor(s)
2006H-MOR: Density functional investigation for the relative strength of Bronsted acid sites and dynamics simulation of NH3 protonation-deprotonationELANANY, M; VERCAUTEREN, DP; KOYAMA, M; KUBO, M; SELVAM, P; BROCLAWIK, E; MIYAMOTO, A
2004Ligand effect on the periodic properties of trivalent organolanthanide complexes: a density functional studyLUO, Y; SELVAM, P; KOYAMA, M; KUBO, M; MIYAMOTO, A
2007Novel computational chemistry approaches for studying physico-chemical properties of zeolite materialsMIYAMOTO, A; KOBAYASHI, Y; ELANANY, M; TSUBOI, H; KOYAMA, M; ENDOU, A; TAKABA, H; KUBO, M; DEL CARPIO, CA; SELVAM, P
2004Periodic density functional investigation of Bronsted acidity in isomorphously substituted chabazite and AlPO-34 molecular sievesELANANY, M; KOYAMA, M; KUBO, M; SELVAM, P; MIYAMOTO, A
2004Theoretical calculations on electronic structure and catalytic reaction of organo-f-element complexesLUO, Y; SELVAM, P; KOYAMA, M; KUBO, M; MIYAMOTO, A
2004A theoretical study on the cyclopropane adsorption onto the copper surfaces by density functional theory and quantum chemical molecular dynamics methodsWANG, XJ; SELVAM, P; LV, C; KUBO, M; MIYAMOTO, A
2005Tight-binding quantum chemical molecular dynamics method: a novel approach to the understanding and design of new materials and catalystsSELVAM, P; TSUBOI, H; KOYAMA, M; KUBO, M; MIYAMOTO, A
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