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...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
2009-05-01
|
| Series: | CHIMIA |
| Subjects: | |
| Online Access: | https://www.chimia.ch/chimia/article/view/4664 |