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- W2803291419 abstract "A cluster-model approach is developed to simulate the IR spectra of triazine-based molecular crystals, and the distinct hydrogen-bonding environments of the crystallographically independent molecules can be clearly revealed." @default.
- W2803291419 created "2018-06-01" @default.
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- W2803291419 date "2018-01-01" @default.
- W2803291419 modified "2023-10-17" @default.
- W2803291419 title "Cluster-model DFT simulations of the infrared spectra of triazine-based molecular crystals" @default.
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- W2803291419 doi "https://doi.org/10.1039/c8cp01550c" @default.
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