Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase

The purpose of this review is to demonstrate advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase. Molecular spectroscopy, particularly vibrational spectroscopy and electronic spectroscopy, has been used extensively for a wide range of...

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Veröffentlicht in:	Chemical Society reviews 2021-10, Vol.5 (19), p.1917-1954
Hauptverfasser:	Ozaki, Yukihiro, Be, Krzysztof B, Morisawa, Yusuke, Yamamoto, Shigeki, Tanabe, Ichiro, Huck, Christian W, Hofer, Thomas S
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity Cartesian coordinates Chemical reactions Chemistry Chemistry, Multidisciplinary Electron transitions Empirical analysis Far infrared radiation Infrared spectroscopy Materials science Mathematical analysis Molecular spectroscopy Molecular structure Near infrared radiation Optical activity Physical Sciences Quantum chemistry Raman spectroscopy Science & Technology Self consistent fields Spectrum analysis Tensors Terahertz frequencies
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