Theoretical Study on the Structure and Spectral Properties of Several Classical and Non-Classical C76 Isomers and Their Newly Synthesized Derivatives

X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectra, as well as the ground-state electronic/geometrical structures of the newly discovered two non-classical isomers C2–C76(NC2) and C1–C76(NC3) with their derivatives C2–C76(NC2)­(CF3)14 and C1–C76(NC3...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (5), p.742-751
Hauptverfasser:	Wang, Ziwei, Ge, Qiuyue, Mao, Renfeng, Qi, Jiayuan
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters
Online-Zugang:	Volltext
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