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Prajay Patel

6PUBLICATIONS

17CO-AUTHORS

PharmacogenomicsTheoretical quantum chemistryReaction kinetics and dynamicsMain group metal chemistry

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Publications (6)

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|Feb 20, 2024

Integrating multiscale and machine learning approaches towards the SAMPL9 log <i>P</i> 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 V<sub>3</sub>N<sub>4</sub> 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 pK<sub>a</sub> 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

Frequent Collaborators

2 joint publications

Cong Liu

1 joint publications

Mehrafshan G Jafari

1 joint publications

Anders Reinholdt

1 joint publications

Michael R Gau

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