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Modeling and Simulation in Spectroscopic Study

DOI: 10.4236/sar.2014.23023, PP. 7-9

Keywords: Editorial, SAR

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Editorial; SAR

References

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[2]  Ammundscn, B., Burns, G.R., Islam, M.S., Kanoh, H. and Rozière, J. (1999) Lattice Dynamics and Vibrational Spectra of Lithium Manganese Oxides: A Computer Simulation and Spectroscopic Study. Journal of Physical Chemistry B, 103, 5175-5180. http://dx.doi.org/10.1021/jp984398l
[3]  Catlow, C.R.A. (1987) Computational Techniques and Simulation of Crystal Structures. In: Cheetham, A.K. and Day, P., Eds., Solid State Chemistry Techniques, Chapter 7, Clarendon Press, Oxford.
[4]  Gale, J.D. (1997) GULP (General Utility Lattice Program). Royal Institution of GB and Imperial College, London, 1991-1996.
[5]  Gale, J.D. (1997) GULP: A Computer Program for the Symmetry-Adapted Simulation of Solids. Journal of the Chemical Society, Faraday Transactions, 93, 629-637. http://dx.doi.org/10.1039/a606455h
[6]  White, W.B. and De Angelis, B.A. (1967) Interpretation of the Vibrational Spectra of Spinels. Spectrochimica Acta Part A: Molecular Spectroscopy, 23, 985-995. http://dx.doi.org/10.1016/0584-8539(67)80023-0

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