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Dunyou Wang

3PUBLICATIONS
46CO-AUTHORS
Computational chemistryChemical and thermal processes in energy and combustionEcohydrology
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Journal

Publications (3)

Sort by Publication Date:
|Dec 16, 2021
Predicting atomic-level reaction mechanisms for S<sub>N</sub>2 reactions via machine learning.

Fanbin Meng, Yan Li, Dunyou Wang

|May 17, 2020
NWChem: Past, present, and future.

E Aprà, E J Bylaska, W A de Jong

|Jul 25, 2018
Quantum dynamics calculations reveal temperature independence of kinetic isotope effect of the OH + HBr/DBr reaction.

Yuping Wang, Dunyou Wang

Pageof 1

Frequent Collaborators

1 joint publications

E Aprà

1 joint publications

E J Bylaska

1 joint publications

W A de Jong

1 joint publications

N Govind

1 joint publications

K Kowalski

1 joint publications

T P Straatsma

1 joint publications

M Valiev

1 joint publications

Y Alexeev

1 joint publications

J Autschbach

1 joint publications

N P Bauman

Frequent Collaborators

1 joint publications

E Aprà

1 joint publications

E J Bylaska

1 joint publications

W A de Jong

1 joint publications

N Govind

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