Pablo Unzueta
5PUBLICATIONS
69CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (5)
Sort by Publication Date:
|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.Lily M Hunnisett, Nicholas Francia, Jonas Nyman
|Jun 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.Diptarka Hait, Dean Lahana, O Jonathan Fajen
|May 16, 2023
Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning.Soren Holm, Pablo A Unzueta, Keiran Thompson
|Aug 05, 2020
Polarizable continuum models provide an effective electrostatic embedding model for fragment-based chemical shift prediction in challenging systems.Pablo A Unzueta, Gregory J O Beran
|Jun 26, 2019
Improving the accuracy of solid-state nuclear magnetic resonance chemical shift prediction with a simple molecular correction.Martin Dračínský, Pablo Unzueta, Gregory J O Beran
Pageof 1
Frequent Collaborators
3 joint publications
Gregory J O Beran
2 joint publications
Todd J Martínez
1 joint publications
Keiran Thompson
1 joint publications
Diptarka Hait
1 joint publications
Dean Lahana
1 joint publications
O Jonathan Fajen
1 joint publications
Amiel S P Paz
1 joint publications
Bhaskar Rana
1 joint publications
Lixin Lu
1 joint publications
Yuanheng Wang
