关注
Mackenzie W Taylor
Mackenzie W Taylor
PhD Student, UNSW
在 student.unsw.edu.au 的电子邮件经过验证
标题
引用次数
引用次数
年份
Accuracy of DLPNO-CCSD (T): Effect of basis set and system size
I Sandler, J Chen, M Taylor, S Sharma, J Ho
The Journal of Physical Chemistry A 125 (7), 1553-1563, 2021
862021
Predicting Solvent Effects on SN2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models
M Taylor, H Yu, J Ho
The Journal of Physical Chemistry B 126 (44), 9047-9058, 2022
162022
Molecular geometries and vibrational contributions to reaction thermochemistry are surprisingly insensitive to the choice of basis sets
M Wang, X He, M Taylor, W Lorpaiboon, H Mun, J Ho
Journal of Chemical Theory and Computation 19 (15), 5036-5046, 2023
152023
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn
M Taylor, J Ho
Journal of Computer-Aided Molecular Design 37 (4), 167-182, 2023
112023
A High‐capacity Benzoquinone Derivative Anode for All‐organic Long‐cycle Aqueous Proton Batteries
S Wu, M Taylor, H Guo, S Wang, C Han, J Vongsvivut, Q Meyer, Q Sun, ...
Angewandte Chemie International Edition 63 (52), e202412455, 2024
42024
How Accurate Are QM/MM Models?
J Ho, H Yu, Y Shao, M Taylor, J Chen
The Journal of Physical Chemistry A, 2024
22024
Binding of Per-and Polyfluoroalkyl Substances to β-Lactoglobulin from Bovine Milk
PC Pham, M Taylor, GTH Nguyen, J Beltran, JL Bennett, J Ho, WA Donald
Chemical Research in Toxicology 37 (5), 757-770, 2024
12024
Predicting Carbonic Anhydrase Binding Affinity: Insights from QM Cluster Models
M Taylor, H Mun, J Ho
The Journal of Physical Chemistry B, 2025
2025
系统目前无法执行此操作,请稍后再试。
文章 1–8