FTIR, Raman, and UV-Vis spectroscopic and DFT investigations of the structure of iron-lead-tellurate glasses

Journal of Molecular Modeling

Volumn 17, Issue 8, 2011, Pages 2103-2111

  Rada, Simona ^a   Dehelean, Adriana ^a,b   Culea, Eugen ^a  

^a TECHNICAL UNIVERSITY OF CLUJ NAPOCA   (Romania)

^b NATIONAL INSTITUTE FOR RESEARCH AND DEVELOPMENT OF ISOTOPIC AND MOLECULAR TECHNOLOGIES   (Romania)

Author keywords

DFT calculations; FTIR and UV Vis spectroscopy; Iron lead tellurate glasses

Indexed keywords

FERRIC OXIDE; GLASS; IRON; LEAD; OXYGEN; TELLURIC ACID; TELLURIUM; TELLURIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BIOTRANSFORMATION; CHEMICAL BOND; CHEMICAL COMPOSITION; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; CROSS LINKING; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DEPOLYMERIZATION; ELECTRICITY; INFRARED SPECTROSCOPY; INTERCALATION COMPLEX; ION TRANSPORT; OXIDATION; PHOTOCHEMISTRY; POLARIZATION; PRIORITY JOURNAL; RAMAN SPECTROMETRY; REDUCTION; ULTRAVIOLET SPECTROSCOPY; VIBRATION;

COMPUTER SIMULATION; GLASS; IRON; LEAD; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS; SPECTRUM ANALYSIS, RAMAN; TELLURIUM;

EID: 80051738713     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0911-5     Document Type: Article

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