A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C6H4-CN): benchmarking experiments and calculations using the “Lego brick” approach - Archive ouverte HAL Access content directly
Journal Articles Physical Chemistry Chemical Physics Year : 2023

A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C6H4-CN): benchmarking experiments and calculations using the “Lego brick” approach

Abstract

Benchmarking experiments and calculations using the “Lego brick” approach on cyanoethynylbenzene isomers.
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hal-04001652 , version 1 (23-02-2023)

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Attribution - NonCommercial

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Jean-Thibaut Spaniol, Kin Long Kelvin Lee, Olivier Pirali, Cristina Puzzarini, Marie-Aline Martin-Drumel. A rotational investigation of the three isomeric forms of cyanoethynylbenzene (HCC-C6H4-CN): benchmarking experiments and calculations using the “Lego brick” approach. Physical Chemistry Chemical Physics, 2023, 25 (8), pp.6397-6405. ⟨10.1039/D2CP04825F⟩. ⟨hal-04001652⟩
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