Intensity Tracking for Vibrational Spectra of Large Molecules

Intensity Tracking for Vibrational Spectra of Large Molecules

We briefly review our work on theoretical vibrational spectroscopy and elaborate on a recent approach for the selective calculation of high-intensity features in vibrational spectra developed in our laboratory. Conventional methods for the determination of frequencies and intensities descr...

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Bibliographic Details
Main Authors: Karin Kiewisch, Sandra Luber, Johannes Neugebauer, Markus Reiher
Format: Article
Language:deu
Published: Swiss Chemical Society 2009-05-01
Series:CHIMIA
Subjects:
Intensity tracking
Mode tracking
Quantum chemistry
Vibrational spectroscopy
Online Access:https://www.chimia.ch/chimia/article/view/4664

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