Vibrational spectroscopy by means of first‐principles molecular dynamics simulations-Reference-Cited by-同舟云学术

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Vibrational spectroscopy by means of first‐principles molecular dynamics simulations

Published:2022-03 Issue:5 Volume:12 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Ditler Edward¹^ORCID,Luber Sandra¹^ORCID

Affiliation:

1. Department of Chemistry University of Zurich Zurich Switzerland

Funder

Universität Zürich

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1605

Reference250 articles.

1. Enhancing NMR Prediction for Organic Compounds Using Molecular Dynamics

2. Nuclear quantum effects enter the mainstream

3. Second generation Car-Parrinello molecular dynamics

4. Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects

5. Perspective: Computing (ro-)vibrational spectra of molecules with more than four atoms

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