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Authors whose works are in public domain in at least one jurisdiction

List of works by Dunyou Wang

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NWChem: Past, present, and future

scientific article published on 01 May 2020
Multilevel Quantum Mechanics Theories and Molecular Mechanics Calculations of the Cl- + CH3I Reaction in Water.

scientific article published on 25 September 2017
Multilevel Quantum Mechanics and Molecular Mechanics Study of the Double-Inversion Mechanism at Nitrogen: F- + NH2Cl in Aqueous Solution

scientific article published on 24 December 2019
Oscillating collective motion of active rotors in confinement

scientific article published on 19 May 2020
Catalytic Effect of Aqueous Solution in Water-Assisted Proton-Transfer Mechanism of 8-Hydroxy Guanine Radical.

scientific article published on 8 March 2018
Quantum dynamics study of kinetic isotope effects of OD with HBr and DBr

scientific article published on 01 July 2019
The importance of the composite mechanisms with two transition states in the F- + NH2I SN2 reaction

scientific article published on 26 May 2020
Quantum dynamics calculations reveal temperature independence of kinetic isotope effect of the OH + HBr/DBr reaction

scientific article published on 01 July 2018
Hybrid Solvation Model with First Solvation Shell for Calculation of Solvation Free Energy

scientific article published on 10 March 2020
Quantum Dynamics Study of the Potential Energy Minima Effect on Energy Efficiency for the F- + CH3Cl → FCH3 + Cl- Reaction.

scientific article published on 27 March 2017

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