Haibo Yu - Dissemin

All papers authored by Haibo Yu

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2022 Mackenzie Taylor, Haibo Yu

, Junming Ho

Predicting Solvent Effects on S_N2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2021 Jayden J. Gaston

, Andrew J. Tague

, Jamie E. Smyth, Nicholas M. Butler

, Anthony C. Willis, Nico van Eikema Hommes, Haibo Yu

, Timothy Clark

, Paul A. Keller

The Detosylation of Chiral 1,2-Bis(tosylamides)

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2020 Jayden J. Gaston

, Patrick M. McCosker

, Haibo Yu

, Paul A. Keller

Predicting phosphirane air stability using density functional theory

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Karen Luna-Ramirez, Agota Csoti, Jeffrey R. McArthur, Yanni K. Y. Chin, Raveendra Anangi, Rosby del Carmen Najera, Lourival D. Possani, Glenn F. King, Gyorgy Panyi, Haibo Yu

, David J. Adams, Rocio K. Finol-Urdaneta

Structural basis of the potency and selectivity of Urotoxin, a potent Kv1 blocker from scorpion venom

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Huong T. T. Ta, A. Kiet Tieu, Hongtao Zhu, Haibo Yu

, Nam V. Tran, Bach H. Tran, Shanhong Wan, Thi D. Ta

Ab initio study on physical and chemical interactions at borates and iron oxide interface at high temperature

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2019 Yaping Chen, Xingyong Wang, Mengmeng Lao, Kun Rui, Xiaobo Zheng, Haibo Yu

, Jing Ma, Shi Xue Dou, Wenping Sun

Electrocatalytically inactive SnS2 promotes water adsorption/dissociation on molybdenum dichalcogenides for accelerated alkaline hydrogen evolution

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Ernest Awoonor‐Williams

, William C. Isley, Stephen G. Dale, Erin R. Johnson

, Haibo Yu

, Axel D. Becke, Benoît Roux, Christopher N. Rowley

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols

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Lei Li, Xingyong Wang, Haoran Guo, Ge Yao, Haibo Yu

, Ziqi Tian, Baihai Li, Liang Chen

Theoretical Screening of Single Transition Metal Atoms Embedded in MXene Defects as Superior Electrocatalyst of Nitrogen Reduction Reaction

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This paper is made freely available by the publisher.

Ronald W. Brown

, Farzad Zamani, Michael G. Gardiner

, Haibo Yu

, Stephen G. Pyne

, Christopher J. T. Hyland

Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones

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2018 Guoqiang Zhao, Xingyong Wang, Shaolan Wang, Kun Rui, Yaping Chen, Haibo Yu

, Jing Ma, Shi Xue Dou, Wenping Sun

Heteroatom‐doped MoSe 2 Nanosheets with Enhanced Hydrogen Evolution Kinetics for Alkaline Water Splitting

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Peng Gao, Xingyong Wang

, Haibo Yu

Towards an Accurate Prediction of Nitrogen Chemical Shifts by Density Functional Theory and Gauge‐Including Atomic Orbital

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Xingyong Wang, Haibo Yu

The effect of DNA backbone on the triplet mechanism of UV-induced thymine-thymine (6–4) dimer formation

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V. S. Sandeep Inakollu, Haibo Yu

A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function

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M. H. Le

, A. K. Tieu, H. Zhu

, D. T. Ta, H. Yu

, T. T. H. Ta, V. N. Tran, S. Wan

Depolymerization of sodium polyphosphates on an iron oxide surface at high temperature

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2017 Christopher Dobie

, Andrew P. Montgomery

, Rémi Szabo, Danielle Skropeta, Haibo Yu

Computer-aided design of human sialyltransferase inhibitors of hST8Sia III

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Andrew P. Montgomery

, Danielle Skropeta, Haibo Yu

Transition state-based ST6Gal I inhibitors: Mimicking the phosphodiester linkage with a triazole or carbamate through an enthalpy-entropy compensation

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Phuong T. V. Nguyen, Haibo Yu

, Paul A. Keller

Molecular Docking Studies to Explore Potential Binding Pockets and Inhibitors for Chikungunya Virus Envelope Glycoproteins

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Bhavaniprasad Vipperla, Thomas M. Griffiths

, Xingyong Wang, Haibo Yu

Theoretical pK prediction of the α-phosphate moiety of uridine 5′-diphosphate-GlcNAc

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Andrew P. Montgomery

, Kela Xiao, Xingyong Wang, Danielle Skropeta, Haibo Yu

Computational Glycobiology: Mechanistic Studies of Carbohydrate-Active Enzymes and Implication for Inhibitor Design

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2016 Weidong Chen, Haibo Yu

, Guotao Wu, Teng He, Zhao Li, Zaiping Guo, Huakun Liu, Zhenguo Huang, Ping Chen

Ammonium Aminodiboranate: A Long-Sought Isomer of Diammoniate of Diborane and Ammonia Borane Dimer

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All papers authored by Haibo Yu