Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates
Homoaggregates of isocyanic acid (HNCO) were studied using FTIR spectroscopy combined with a low-temperature matrix isolation technique and quantum chemical calculations. Computationally, the structures of the HNCO dimers and trimers were optimized at the MP2, B3LYPD3 and B2PLYPD3 levels of theory e...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-02-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/28/3/1430 |