Prajay Patel
6PUBLICATIONS
17CO-AUTHORS
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Publications (6)
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|Feb 20, 2024
Integrating multiscale and machine learning approaches towards the SAMPL9 log P challenge.Michael R Draper, Asa Waterman, Jonathan E Dannatt
|Feb 20, 2024
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches.Prajay Patel, Joseph Chung, Max Aksel Bowman
|Jun 06, 2022
Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis.Suming An, Prajay Patel, Cong Liu
|Jun 02, 2022
Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a V3N4 Double-Diamond Core.Mehrafshan G Jafari, Dominik Fehn, Anders Reinholdt
|Jan 01, 2020
Domain-based local pair natural orbital methods within the correlation consistent composite approach.Prajay Patel, Angela K Wilson
|Sep 10, 2019
Prediction of pKa s of Late Transition-Metal Hydrides via a QM/QM Approach.Prajay Patel, Jiaqi Wang, Angela K Wilson
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Frequent Collaborators
2 joint publications
Cong Liu
1 joint publications
Mehrafshan G Jafari
1 joint publications
Anders Reinholdt
1 joint publications
Michael R Gau
1 joint publications
Patrick J Carroll
1 joint publications
J Krzystek
1 joint publications
Andrew Ozarowski
1 joint publications
Joshua Telser
1 joint publications
Massimiliano Delferro
1 joint publications
Karsten Meyer
