A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials-Reference-Cited by-同舟云学术

A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials

Published:2023-12-29 Issue:2 Volume:20 Page:513-531
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hoffman Alexander E. J.¹^ORCID,Temmerman Wim¹,Campbell Emma²³,Damin Alessandro Ali⁴^ORCID,Lezcano-Gonzalez Ines³⁵,Beale Andrew M.³⁵^ORCID,Bordiga Silvia⁴^ORCID,Hofkens Johan⁶⁷^ORCID,Van Speybroeck Veronique¹^ORCID

Affiliation:

1. Center for Molecular Modeling, Ghent University, 9000 Ghent, Belgium

2. Cardiff Catalysis Institute, Cardiff University, Cardiff CF10 3AT, United Kingdom

3. Research Complex at Harwell, Didcot OX11 0FA, United Kingdom

4. Department of Chemistry, University of Turin, 10124 Turin, Italy

5. Department of Chemistry, University College London, London WC1E 6BT, United Kingdom

6. Department of Chemistry, KU Leuven, 3000 Leuven, Belgium

7. Max Planck Institute for Polymer Research, 55128 Mainz, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00942

Reference163 articles.

1. Vibrational spectroscopy of compound semiconductor nanocrystals

2. Synthesis of new zeolite structures

3. Emerging applications of zeolites in catalysis, separation and host–guest assembly

4. Recent trends and fundamental insights in the methanol-to-hydrocarbons process

5. Toward Rational Design of Cu/SSZ-13 Selective Catalytic Reduction Catalysts: Implications from Atomic-Level Understanding of Hydrothermal Stability

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Strain-induced variations in the Raman and infrared spectra of monolayer InSe: A first-principles study;Journal of Applied Physics;2024-08-08

2. Unveiling the optical, electrical, and thermodynamic properties of γ-(Cs, Rb)PbBr3;Materials Today Communications;2024-06