Seite - 130 - in Advanced Chemical Kinetics

[16] ZamostnyP, BelohlavZ.A software for regression analysis. Computers andChemistry. 1999;23:479-485 [17] Delley B. An all-electron numericalmethod for solving the local density functional for polyatomicmolecules.The JournalofChemicalPhysics. 1990;92:508-517 [18] Delley B. From molecules to solids with the DMol3 approach. Journal of Chemical Physics. 2000;113:7756-7764 [19] GovindN,PetersenMM,FitzgeraldG,King-SmithD,AndzelmJ.Ageneralizedsynchro- nous transit method for transition state location. Computational Materials Science. 2003;28(2):250-258 [20] Sheppard D, Terrell R, Henkelman G. Optimization methods for finding minimum energypaths.The JournalofChemicalPhysics. 2008;128:134106-134116 [21] Handzlik J, Ogonowski J. Theoretical study on ethenemetathesis proceeding onMoVI andMoIVmethylidene centresofheterogeneousmolybdena-alumina catalyst. Journal of MolecularCatalysisA:Chemical. 2001;175:215-225 [22] SongX,LiuG,Yu J,RodriguesAE.Density functional theoretical studyofwatermolec- ular adsorption on surface ofMoO3with the clustermodel. Journal ofMolecular Struc- ture (Theochem). 2004;684:81-85 [23] KongL, LiG,WangH,HeW,Ling F.Hydrothermal catalytic conversion of biomass for lacticacidproduction. JournalofChemicalTechnologyandBiotechnology.2008;83:383-388 [24] LianeckiM,Malecka-GryczM,DomkaF.Water-gas shift reaction over sulfidedmolyb- denumcatalysts I.Alumina, titania andzirconia-supported catalysts.AppliedCatalysis A:General. 2000;196:293-303 [25] Heracleous E, LemonidouAA, Lercher JA.Mechanistic features of the ethane oxidative dehydrogenation by in situ FTIR spectroscopy over a MoO3/Al2O3 catalyst. Applied CatalysisA:General. 2004;264:73-80 [26] Gong J,MaX,WangS,YangX,WangG,WenS.Effect ofMocontent inMoO3/-γ-Al2O3 on thecatalytic activity for trans-esterificationofdimethyloxalatewithphenol.Reaction KineticsandCatalysisLetters. 2004;83(1):113-120 [27] WörzN,BrandnerA,ClausP.Platinum-bismuthcatalyzedoxidationofglycerol:Kinetics and theorigin of selectivedeactivation. Journal of PhysicalChemistryC. 2010;114:1164- 1172 [28] Demirel S, LucasM,Warna J, SalmiT,MurzinD,ClausP.Reactionkinetics andmodel- lingof thegoldcatalysedglyceroloxidation.Topics inCatalysis. 2007;44(1-2):299-305 [29] BoudartM.Turnoverrates inheterogeneouscatalysis.ChemicalReviews.1995;95:661-666 [30] ShenY,ZhangS,LiH,RenY,LiuH.Efficientsynthesisof lacticacidbyaerobicoxidation ofglycerolonAu-Pt/TiO2catalysts.Chemistry–AEuropean Journal. 2010;16:7368-7371 Advanced Chemical Kinetics130