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 | 179 | 2020 |
Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory E Kraka, W Zou, Y Tao Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020 | 146 | 2020 |
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 | 107 | 2017 |
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 | 85 | 2019 |
Strengthening of Hydrogen Bonding With the Push-Pull Effect Y Tao, W Zou, E Kraka Chemical Physics Letters 685 (1), 251-258, 2017 | 68 | 2017 |
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 | 53 | 2020 |
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 | 44 | 2020 |
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 | 41 | 2020 |
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 | 40 | 2015 |
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 | 38 | 2019 |
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 | 34 | 2021 |
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 | 32 | 2020 |
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 | 31 | 2022 |
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 | 31 | 2020 |
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 | 30 | 2018 |
Multi‐layer 3D Chirality and Double‐Helical Assembly in a Copper Nanocluster with a Triple‐Helical Cu15 Core G Dong, Z Pan, B Han, Y Tao, X Chen, GG Luo, P Sun, C Sun, D Sun Angewandte Chemie International Edition 62 (24), e202302595, 2023 | 29 | 2023 |
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 | 28 | 2019 |
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 | 28 | 2018 |
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 | 25 | 2020 |
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 |