Bo Yang - Dissemin

All papers authored by Bo Yang

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2023 Bo Yang

, Jose Mendez-Arroyo, Camille May, Jianhua Yao, Daniel H. Ess

Transition-State Analysis Reveals Unexpected Coordination-Specific Reactivity That Drives Alkene Dimerization by Sulfated Metal–Organic Frameworks

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2022 Bo Yang

, David Hawley, Jianhua Yao, Camille May, Jose E. Mendez-Arroyo, Daniel H. Ess

Demonstration of High-Throughput Building Block and Composition Analysis of Metal–Organic Frameworks

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2021 Bo Yang

, Anna Schouten, Daniel H. Ess

Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π-Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C–H Activation

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Bo Yang

, Xin-Ping Wu

, Laura Gagliardi

, Donald G. Truhlar

Importance of Lattice Constants in QM/MM Calculations on Metal–Organic Frameworks

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Bo Yang

, Joshua I. Wheeler, Brett Sorensen, Robert Steagall, Taylor Nielson, Jianhua Yao, Jose Mendez-Arroyo, Daniel H. Ess

Computational determination of coordination structure impact on adsorption and acidity of pristine and sulfated MOF-808

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2019 Bo Yang

, Xin-Ping Wu

, Laura Gagliardi

, Donald G. Truhlar

Methane functionalization by an Ir(III) catalyst supported on a metal–organic framework: an alternative explanation of steric confinement effects

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Bo Yang

, Kamal Sharkas

, Laura Gagliardi

, Donald G. Truhlar

The effects of active site and support on hydrogen elimination over transition-metal-functionalized yttria-decorated metal–organic frameworks

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2018 Bo Yang

, Donald G. Truhlar

Computational Design of an Iron Catalyst for Olefin Metathesis

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Bo Yang

, Laura Gagliardi

, Donald G. Truhlar

Transition states of spin-forbidden reactions

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2016 Bo Yang

, Thomas A. Manz

Computationally designed tandem direct selective oxidation using molecular oxygen as oxidant without coreductant

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2015 Bo Yang

, Thomas A. Manz

Computationally Designed Zirconium Organometallic Catalyst for Direct Epoxidation of Alkenes without Allylic H Atoms: Aromatic Linkage Eliminates Formation of Inert Octahedral Complexes

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Bo Yang

, Thomas A. Manz

Hafnium catalysts for direct alkene epoxidation using molecular oxygen as oxidant

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2014 Thomas A. Manz

, Bo Yang

Selective oxidation passing through η3-ozone intermediates: Applications to direct propene epoxidation using molecular oxygen oxidant

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All papers authored by Bo Yang