High-throughput computation and evaluation of raman spectra-Reference-Cited by-同舟云学术

High-throughput computation and evaluation of raman spectra

Published:2019-07-26 Issue:1 Volume:6 Page:
ISSN:2052-4463
Container-title:Scientific Data
language:en
Short-container-title:Sci Data

Author:

Liang Qiaohao,Dwaraknath Shyam,Persson Kristin A.^ORCID

Funder

DOE | SC | Basic Energy Sciences

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Statistics, Probability and Uncertainty,Computer Science Applications,Education,Information Systems,Statistics and Probability

Link

http://www.nature.com/articles/s41597-019-0138-y.pdf

Reference36 articles.

1. Das, R. S. & Agrawal, Y. Raman spectroscopy: recent advancements, techniques and applications. Vib. Spectrosc 57, 163–176 (2011).

2. Schrader, B. Infrared and Raman spectroscopy: methods and applications (John Wiley & Sons, 2008).

3. Parker, F. S. Applications of infrared, Raman, and resonance Raman spectroscopy in biochemistry (Springer Science & Business Media, 1983).

4. Lafuente, B., Downs, R. T., Yang, H. & Stone, N. The power of databases: The RRUFF project. Highlights in Mineralogical Crystallography 1, 1–29 (2016).

5. Sluiter, M. H., Simonovic, D. & Tasci, E. S. Materials databases for the computational materials scientist. Int J Min Met Mater 18, 303–308 (2011).

Cited by 18 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. First-principles characterization of thermal conductivity in LaPO4 -based alloys;Physical Review Applied;2024-08-26

2. Automated all-functionals infrared and Raman spectra;npj Computational Materials;2024-03-15

3. Investigation of the Vibrational Properties of 2D Titanium Nitride MXene Using DFT;The Journal of Physical Chemistry C;2024-02-15

4. A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals;Scientific Data;2024-01-22

5. Accurate description of ion migration in solid-state ion conductors from machine-learning molecular dynamics;Journal of Materials Chemistry A;2024