Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations-Reference-Cited by-同舟云学术

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Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations

Published:2021-09 Issue:5 Volume:8 Page:054101
ISSN:2329-7778
Container-title:Structural Dynamics
language:en
Short-container-title:Structural Dynamics

Author:

Inakollu V. S. Sandeep¹²³^ORCID,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, Wollongong, New South Wales 2522, Australia

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

Funder

Australian Research Council

Publisher

AIP Publishing

Subject

Spectroscopy,Condensed Matter Physics,Instrumentation,Radiation

Link

https://aca.scitation.org/doi/pdf/10.1063/4.0000124

Reference64 articles.

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

2. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

3. Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases?

4. Reinvestigation of the Infrared Spectrum of the Gas-Phase Protonated Water Tetramer

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