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- W833644454 abstract "As-S-X(X=Cl,Br,I)and As-Y-Br(Y=S,Se,Te)glasses are studied with Self-Consistent-Field Dis-crete Variational X_α(SCF-DV-X_α),one of the molecule orbital.calculating methods in quantum chemistry.The chemicalbonding is studied to discuss the relations between structuresand properties with the variations of compositions of theglasses.The calculated results show that the strength of cova-lent and ionic bonds are both in the order of As-S-Cl>As-S-Br>As-S-I as well as As-S-Br>As-Se-Br>As-Te-Br,it isconsistent with the experimental result of the glass-transitiontemperature (Tg) of the corresponding glasses.The differ-ences of chemical bond strength and Tg among As-S-X(X=Cl,Br,I)glasses are larger are larger than those among As-Y-Br(Y=S,Se,Te)glasses and the largest difference ofchemical bond strength is that of ionic bond of As-X amongAs-S-X(X=Cl,Br,I)glasses,so the variations of X(X=Cl,Br,I),the end atoms on the chains in the glasses,play themore important role to affect the struture and property of theglasse" @default.
- W833644454 created "2016-06-24" @default.
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- W833644454 date "1996-01-01" @default.
- W833644454 modified "2023-09-23" @default.
- W833644454 title "STRUCTURES,PROPERTIES AND QUANTUM CHEMISTRY STUDIES OF As-S-X (X=Cl,Br,I) AND As-Y-Br(Y=S,Se,Te) GLASSES" @default.
- W833644454 hasPublicationYear "1996" @default.
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