Xiao Liu
3PUBLICATIONS
12CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (3)
Sort by Publication Date:
|Jun 12, 2025
Revisiting a large and diverse data set for barrier heights and reaction energies: best practices in density functional theory calculations for chemical kinetics.Xiao Liu, Kevin A Spiekermann, Angiras Menon
|May 23, 2023
Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments.Jiashu Liang, Xintian Feng, Xiao Liu
|Apr 28, 2023
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3.Jonathan Wong, Brad Ganoe, Xiao Liu
Pageof 1
Frequent Collaborators
3 joint publications
Martin Head-Gordon
2 joint publications
Jiashu Liang
1 joint publications
Jonathan Wong
1 joint publications
Brad Ganoe
1 joint publications
Tim Neudecker
1 joint publications
Joonho Lee
1 joint publications
Zhe Wang
1 joint publications
Jie Li
1 joint publications
Adam Rettig
1 joint publications
Teresa Head-Gordon
