A Theoretical Study on ESPT Mechanism of DALL-AcOH Complex

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Infrared spectra ESIPT TICT Frontier molecular orbitals.
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10.4208/cicc.2016.v4.n1.1

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A Theoretical Study on ESPT Mechanism of DALL-AcOH Complex . (2016). Communications in Computational Chemistry, 4(1), 1-8. https://doi.org/10.4208/cicc.2016.v4.n1.1