Pablo A. Unzueta

Statistics

Publications

Citations

236

H-Index

Active since

2019

Affiliations

University of California, Riverside(Current)

Pablo A. Unzueta is an author at University of California, Riverside specializing in natural sciences, theoretical chemistry, and computational chemistry.

ORCID

Publications per year

2019–2024

Publications

Predicting Density Functional Theory-Quality Nuclear Magnetic Resonance Chemical Shifts via Δ-Machine Learning

Pablo A. Unzueta, Chandler Greenwell, Gregory J. O. Beran · Journal of Chemical Theory and Computation · 2021 · 75 citations

Natural Sciences, Chemistry, Computer Science +11

The seventh blind test of crystal structure prediction: structure ranking methods

Lily M. Hunnisett, Nicholas Francia, Jonas Nyman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2024 · 70 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Improving the accuracy of solid-state nuclear magnetic resonance chemical shift prediction with a simple molecular correction

Martin Dračínský, Pablo A. Unzueta, Gregory J. O. Beran · Physical Chemistry Chemical Physics · 2019 · 60 citations

Natural Sciences, Chemistry, Computational Chemistry +3

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 · Journal of Computational Chemistry · 2020 · 18 citations

Natural Sciences, Chemistry, Computational Chemistry +13

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 et al. · The Journal of Chemical Physics · 2024 · 13 citations · Full text

Natural Sciences, Chemistry, Physics +17

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