Browsing by Subject Quantum chemistry

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Showing results 1 to 13 of 13
Issue DateTitleAuthor(s)
2007Adsorption of methane in metal organic framework as studied by quantum chemical calculationsNattaya Selphusit
2000Basicity investigation and structure optimization of polyaza-Calixarenes and stabilities of their complexes with metal cationsVithaya Ruangpornvisuti
2007Conformation, energies and complexation between alkali cations and aspartic acidWichien Sang-aroon
2006Diffusion of pentane isomers in silicalite-1 by molecular dynamic simulationArthorn Loisruangsin
2013Evaluation of structural and dynamical properties of hydrated thiosulfate ion by quantum mechanical charge field molecular dynamics simulationMontira Trinapakul
2002Geometric structures and electronic properties of HIV-1 proteinase inhibitor : C60 derivativesSiriporn Promsri
2000Interactions of pyridinocalix[4]arene with cations and organic molecules by quantum chemical calculationsPratan Ruekmetha
2002Preferential binding sites of waters in the HIV-1 protease pocket by quantum chemical calculationsChittima Laohpongspaisan
2004Quantum chemical calculation on catalytic epoxidation by vanadium complexesSirichai Lawanvisuth
2000Quantum chemistry and QSAR of antimalarial artemisinin and its derivativesSomsak Tonmunphean
2009Structural property and interaction between single-walled carbon nanotube and doxorubicin using molecular dynamics simulationsPurinchaya Sornmee
2004Structures and interactions of guest molecules with the silanol groups on the (010) surface of silicalite-1 : quantum chemical calculationsOraphan Saengsawang
2002Study of diffusion of guest molecules through zeolite pores using methods of quantum chemistry, computer simulations, and pulse field gradient-nuclear magnetic resonance experimentsChuenchit Bussai