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Updated: Jul 23, 2025

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

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在重贵气化中进行量子计算:参考能量和新的光谱数据

María Judit Montes de Oca-Estévez1, Rita Prosmiti2

  • 1Institute of Fundamental Physics, CSIC (IFF-CSIC), Serrano 123, 28006 Madrid, Spain; Atelgraphics S.L., Mota de Cuervo 42, 28043, Madrid, Spain; Doctoral Programme in Theoretical Chemistry and Computational Modelling, Doctoral School, UAM, Madrid, Spain.

Journal of molecular graphics & modelling
|July 16, 2023
PubMed
概括

计算量子化学准确地描述了重原子化物子,如KrH+,XEH+和RnH+. 这项研究为这些罕见物种提供了关键的光振动数据,有助于实验室和天文识别.

关键词:
电子结构计算 电子结构计算分子间相互作用 分子间相互作用分子天体化学数据数据质子结合的星团.量子化学方法 量子化学方法稀有气体化酸盐稀有气体化酸盐罗维振动光谱学 (Rovibrational Spectroscopy) 是一种使用振动光谱的方法.

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Removing one hydrogen from the intervening CH2 group...
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