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Quantum chemistry study on superstructure and Raman spectra of binary sodium silicates

โœ Scribed by J.-L. You; G.-C. Jiang; H.-Y. Hou; H. Chen; Y.-Q. Wu; K.-D. Xu

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
558 KB
Volume
36
Category
Article
ISSN
0377-0486

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The structure and characteristics of 13 and 7 dicalcium silicate (C2S), cement clinker minerals, have been studied by the self-consistent-field discrete variational Xa method (SCF-DV-Xa), one of the quantum chemistry calculating methods. The results show that there are less differences of Si-O bonds