Abstract
Modeling the properties of molecules isolated in low-temperature inert matrices is discussed in terms of cluster approaches. The analysis uses molecular dynamic and quantum chemical methods. Particular attention is paid to spectral features resulting from the matrix environment effects.
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Translated from Zhurnal Struktumoi Khimii, Vol. 38, No. 2, pp. 256–262, March–April, 1997.
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Nemukhin, A.V., Grigorenko, B.L. & Ozhegova, N.V. Modeling the spectra of matrix-isolated molecules. J Struct Chem 38, 207–211 (1997). https://doi.org/10.1007/BF02762647
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DOI: https://doi.org/10.1007/BF02762647