A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function-Reference-Cited by-同舟云学术

A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function

Published:2018-09-30 Issue:25 Volume:39 Page:2067-2078
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Inakollu V. S. Sandeep¹²,Yu Haibo¹²³^ORCID

Affiliation:

1. School of Chemistry and Molecular Bioscience University of Wollongong Wollongong New South Wales 2522 Australia

2. Molecular Horizons University of Wollongong New South Wales 2522 Australia

3. Illawarra Health and Medical Research Institute Wollongong New South Wales 2522 Australia

Funder

Australian Research Council

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25390

Reference86 articles.

1. The early history of spectroscopy

2. Applied Infrared Spectroscopy

3. Interpretation of Infrared Spectra, A Practical Approach

4. Infrared spectroscopy of proteins

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