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Yunwen Tao
Yunwen Tao
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Year
Machine learning of serum metabolic patterns encodes early-stage lung adenocarcinoma
L Huang, L Wang, X Hu, S Chen, Y Tao, H Su, J Yang, W Xu, ...
Nature communications 11 (1), 3556, 2020
1722020
Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory
E Kraka, W Zou, Y Tao
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020
1382020
Different Ways of Hydrogen Bonding in Water - Why Does Warm Water Freeze Faster than Cold Water?
Y Tao, W Zou, J Jia, W Li, D Cremer
Journal of Chemical Theory and Computation 13 (1), 55–76, 2017
1022017
Recent Progress in Ligand-Centered Homogeneous Electrocatalysts For Hydrogen Evolution Reaction
GG Luo, HL Zhang, Y Tao, QY Wu, D Tian, Q Zhang
Inorganic Chemistry Frontiers 6 (2), 343-354, 2019
832019
Strengthening of Hydrogen Bonding With the Push-Pull Effect
Y Tao, W Zou, E Kraka
Chemical Physics Letters 685 (1), 251-258, 2017
662017
A sodalite‐type silver orthophosphate cluster in a globular silver nanocluster
C Deng, C Sun, Z Wang, Y Tao, Y Chen, J Lin, G Luo, B Lin, D Sun, ...
Angewandte Chemie 132 (31), 12759-12763, 2020
512020
Chelation-assisted selective etching construction of hierarchical polyoxometalate-based metal–organic framework
Z Zhang, Y Tao, H Tian, Q Yue, S Liu, Y Liu, X Li, Y Lu, Z Sun, E Kraka, ...
Chemistry of Materials 32 (13), 5550-5557, 2020
422020
Exploring the Enantioselective Mechanism of Halohydrin Dehalogenase from Agrobacterium Radiobacter AD1 by Iterative Saturation Mutagenesis
C Guo, Y Chen, Y Zheng, W Zhang, Y Tao, J Feng, L Tang
Applied and Environmental Microbiology 81 (8), 2919-2926, 2015
392015
A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory
N Verma, Y Tao, W Zou, X Chen, X Chen, M Freindorf, E Kraka
Sensors 20 (8), 2358, 2020
362020
In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems
Y Tao, W Zou, D Sethio, N Verma, Y Qiu, C Tian, D Cremer, E Kraka
Journal of Chemical Theory and Computation 15 (3), 1761–1776, 2019
362019
Ssnet: A deep learning approach for protein-ligand interaction prediction
N Verma, X Qu, F Trozzi, M Elsaied, N Karki, Y Tao, B Zoltowski, ...
International journal of molecular sciences 22 (3), 1392, 2021
312021
In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory
Y Tao, Y Qiu, W Zou, S Nanayakkara, S Yannacone, E Kraka
Molecules 25 (7), 1589, 2020
302020
Local Vibrational Force Constants-From the Assessment of Empirical Force Constants to the Description of Bonding in Large Systems
W Zou, Y Tao, M Freindorf, D Cremer, E Kraka
Chemical Physics Letters, 2020
302020
The Difference Se makes: A Bio‐inspired dppf‐Supported Nickel Selenolate Complex Boosts Hydrogen Evolution with High Oxygen Tolerance
Z Pan, Y Tao, Q He, Q Wu, L Cheng, Z Wei, J Wu, Lin, Jinqing, D Sun, ...
Chemistry – A European Journal 24 (33), 8275-8280, 2018
292018
Local Vibrational Mode Analysis (LModeA. Computational and Theoretical Chemistry Group (CATCO)
W Zou, Y Tao, M Freindorf, MZ Makos, N Verma, D Cremer, E Kraka
Southern Methodist University: Dallas, TX, USA, 2022
282022
New Mechanistic Insights Into the Claisen Rearrangement of Chorismate–a Unified Reaction Valley Approach Study
M Freindorf, Y Tao, D Sethio, D Cremer, E Kraka
Molecular Physics 117, 1172-1192, 2019
272019
Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis
Y Tao, C Tian, N Verma, W Zou, C Wang, D Cremer, E Kraka
Journal of Chemical Theory and Computation 14 (5), 2558-2569, 2018
262018
Local Vibrational Mode Analysis of π–Hole Interactions between Aryl Donors and Small Molecule Acceptors
S Yannacone, M Freindorf, Y Tao, W Zou, E Kraka
Crystals 10 (7), 556, 2020
252020
COLOGNE2017
E Kraka, W Zou, M Filatov, Y Tao, J Grafenstein, D Izotov, J Gauss, Y He, ...
http://www.smu.edu/catco, 2017
25*2017
Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen
H Cui, J Zhang, Y Tao, C Cui
Inorganic Chemistry 55 (1), 46-50, 2016
242016
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Articles 1–20