Publications by authors named "Prajay Patel"

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Understanding the Active Site Structures and Achieving Catalytic Activity Tuning of Atomically Dispersed FeN Sites for Oxygen Reduction Reaction.
Jiayi Xu, Prajay Patel, Chang Yan, Cong Liu

Chemphyschem· August 2025

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Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches.
Prajay Patel, Joseph Chung, Max Aksel Bowman, Inga Ulusoy, Angela K Wilson

J Comput Chem· June 2024

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Integrating multiscale and machine learning approaches towards the SAMPL9 log  challenge.
Michael R Draper, Asa Waterman, Jonathan E Dannatt, Prajay Patel

Phys Chem Chem Phys· February 2024

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No-boundary thinking for artificial intelligence in bioinformatics and education.
Prajay Patel, Nisha Pillai, Inimary Toby

Front Bioinform· January 2024

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Gastrectomy mortality in Australia.
Sean S Davis, Darcy Noll, Prajay Patel, Ryan T Maloney, Guy J Maddern

ANZ J Surg· September 2022

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Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a VN Double-Diamond Core.
Mehrafshan G Jafari, Dominik Fehn, Anders Reinholdt, Cristina Hernández-Prieto, Prajay Patel

J Am Chem Soc· June 2022

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Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis.
Suming An, Prajay Patel, Cong Liu, Rex T Skodje

J Phys Chem A· June 2022

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Re-fractures of the paediatric radius and/or ulna: A systematic review.
Ameya Bhanushali, Evelyn Axelby, Prajay Patel, Rabieh Abu-Assi, Belinda Ong

ANZ J Surg· April 2022

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SAMPL6 logP challenge: machine learning and quantum mechanical approaches.
Prajay Patel, David M Kuntz, Michael R Jones, Bernard R Brooks, Angela K Wilson

J Comput Aided Mol Des· May 2020

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Screening for Carpal Tunnel Syndrome in Patients With Mucopolysaccharidosis.
Prajay Patel, Georgia Antoniou, Damian Clark, David Ketteridge, Nicole Williams

J Child Neurol· May 2020

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Domain-based local pair natural orbital methods within the correlation consistent composite approach.
Prajay Patel, Angela K Wilson

J Comput Chem· March 2020

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Prediction of pK s of Late Transition-Metal Hydrides via a QM/QM Approach.
Prajay Patel, Jiaqi Wang, Angela K Wilson

J Comput Chem· January 2020

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Communication and management of incidental pathology in 1,214 consecutive appendicectomies; a cohort study.
Ned Kinnear, Bridget Heijkoop, Eliza Bramwell, Alannah Frazzetto, Amy Noll, Prajay Patel

Int J Surg· December 2019

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Acute surgical unit improves outcomes in appendicectomy.
Ned Kinnear, Eliza Bramwell, Alannah Frazzetto, Amy Noll, Prajay Patel

ANZ J Surg· September 2019

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SAMPL6 host-guest challenge: binding free energies via a multistep approach.
Yiğitcan Eken, Prajay Patel, Thomas Díaz, Michael R Jones, Angela K Wilson

J Comput Aided Mol Des· October 2018

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