Pablo A. Unzueta - Publications, H-index & Citations

Pablo A. Unzueta

University of California System

6H指数

19论文数

233被引数

收录论文 4

发表时间

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-06-24

OAAI

Hait, Diptarka; Lahana, Dean; Fajen, O. Jonathan; Paz, Amiel S. P.; Unzueta, Pablo A.; Rana, Bhaskar; Lu, Lixin; Wang, Yuanheng; Kjonstad, Eirik F.; Koch, Henrik; Martinez, Todd J.

Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-05-16

PREAI

Holm, Soren; Unzueta, Pablo A.; Thompson, Keiran; Martinez, Todd J.

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-01-11

PREAI

Unzueta, Pablo A.; Greenwell, Chandler S.; Beran, Gregory J. O.

Polarizable continuum models provide an effective electrostatic embedding model for fragment-based chemical shift prediction in challenging systems

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2020-08-04

PREAI

Unzueta, Pablo A.; Beran, Gregory J. O.

研究方向