Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems-Reference-Cited by-同舟云学术

Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems

Published:2020-07-07 Issue:30 Volume:124 Page:6664-6670
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Katsyuba Sergey A.¹^ORCID,Spicher Sebastian²^ORCID,Gerasimova Tatiana P.¹,Grimme Stefan²^ORCID

Affiliation:

1. Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Arbuzov st. 8, 420088 Kazan, Russia

2. Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstr. 4, 53115 Bonn, Germany

Funder

Deutscher Akademischer Austauschdienst

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c05857

Reference26 articles.

1. Quantification of Conventional and Nonconventional Charge-Assisted Hydrogen Bonds in the Condensed and Gas Phases

2. How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study

3. Ab Initio Molecular Dynamics

4. Computing vibrational spectra from ab initio molecular dynamics

5. Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details

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