| Year |
Citation |
Score |
| 2025 |
Xu J, Patel P, Yan C, Liu C. Understanding the active site structures and achieving catalytic activity tuning of atomically dispersed FeN4 sites for oxygen reduction reaction. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202401158. PMID 40355372 DOI: 10.1002/cphc.202401158 |
0.404 |
|
| 2024 |
Draper MR, Waterman A, Dannatt JE, Patel P. Integrating multiscale and machine learning approaches towards the SAMPL9 log challenge. Physical Chemistry Chemical Physics : Pccp. 26: 7907-7919. PMID 38376855 DOI: 10.1039/d3cp04140a |
0.366 |
|
| 2024 |
Patel P, Chung J, Bowman MA, Ulusoy I, Wilson AK. Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches. Journal of Computational Chemistry. PMID 38376255 DOI: 10.1002/jcc.27333 |
0.545 |
|
| 2022 |
An S, Patel P, Liu C, Skodje RT. Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis. The Journal of Physical Chemistry. A. 126: 3783-3796. PMID 35658508 DOI: 10.1021/acs.jpca.2c02153 |
0.497 |
|
| 2022 |
G Jafari M, Fehn D, Reinholdt A, Hernández-Prieto C, Patel P, Gau MR, Carroll PJ, Krzystek J, Liu C, Ozarowski A, Telser J, Delferro M, Meyer K, Mindiola DJ. 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. Journal of the American Chemical Society. 144: 10201-10219. PMID 35652694 DOI: 10.1021/jacs.2c00276 |
0.39 |
|
| 2020 |
Patel P, Kuntz DM, Jones MR, Brooks BR, Wilson AK. SAMPL6 logP challenge: machine learning and quantum mechanical approaches. Journal of Computer-Aided Molecular Design. PMID 32002780 DOI: 10.1007/S10822-020-00287-0 |
0.629 |
|
| 2019 |
Patel P, Wilson AK. Domain-based local pair natural orbital methods within the correlation consistent composite approach. Journal of Computational Chemistry. PMID 31891196 DOI: 10.1002/Jcc.26129 |
0.633 |
|
| 2019 |
Patel P, Wang J, Wilson AK. Prediction of pK s of Late Transition-Metal Hydrides via a QM/QM Approach. Journal of Computational Chemistry. PMID 31495951 DOI: 10.1002/Jcc.26057 |
0.611 |
|
| 2018 |
Eken Y, Patel P, Díaz T, Jones MR, Wilson AK. SAMPL6 host-guest challenge: binding free energies via a multistep approach. Journal of Computer-Aided Molecular Design. PMID 30225724 DOI: 10.1007/S10822-018-0159-1 |
0.619 |
|
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