D
Dunyou Wang
Researcher at Shandong Normal University
Publications - 68
Citations - 6451
Dunyou Wang is an academic researcher from Shandong Normal University. The author has contributed to research in topics: Potential energy surface & Quantum dynamics. The author has an hindex of 20, co-authored 63 publications receiving 5471 citations. Previous affiliations of Dunyou Wang include Environmental Molecular Sciences Laboratory & New York University.
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Quantum Dynamics Study for D2 + OH Reaction
TL;DR: In this article, a PA5D (potential averaged 5D) TD (time-dependent) quantum wavepacket calculation is reported for the reaction D{sub 2} + OH {yields} D + DOH on the Schatz-Elgersma potential energy surface.
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An eight-degree-of-freedom quantum dynamics study for the H2+C2H system.
TL;DR: The theoretical and experimental results agree with each other very well when the present 8DOF results are adjusted to account for the lower transition state barrier heights found in recent ab initio calculations.
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A new, double-inversion mechanism of the F− + CH3Cl SN2 reaction in aqueous solution
Peng Liu,Dunyou Wang,Yulong Xu +2 more
TL;DR: A novel intermediate complex is revealed serving as a "connecting link" between the two transition states of the abstraction-induced inversion and the Walden-inversion mechanisms for the F- + CH3Cl SN2 reaction in aqueous solution.
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Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4+ OH-in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants
TL;DR: CCl(4) has the lowest free energy activation barrier for the reaction with OH(-) in aqueous solution, confirming the trend that substitution of Cl by H in chloromethanes diminishes the reactivity.
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Quantum Dynamics Scattering Study of AB+CDE Reactions: A Seven Dimensional Treatment for the H2+C2H Reaction
TL;DR: In this article, a time-dependent wave-packet approach is presented for the quantum dynamics study of the AB+CDE reaction system for zero total angular momentum, and an integral cross section is also reported for the initial ground states of H2 and C2H.