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Rui Sun

Rui Sun

University of Hawaii System - Honolulu / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1630962
University of Hawai'i at Mānoa
person_outline Rui Sun's MOST POPULAR ARTICLES
1-) The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory Computer Physics Communications 185 (3), 1074-1080, 2014
2-) Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (3), 296-316, 2013
3-) Indirect dynamics in a highly exoergic substitution reaction Journal of the American Chemical Society 135 (11), 4250-4259, 2013
4-) Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment The Journal of Physical Chemistry A 117 (32), 7162-7178, 2013
5-) Characterization of Leptazolines A–D, Polar Oxazolines from the Cyanobacterium Leptolyngbya sp., Reveals a Glitch with the “Willoughby–Hoye” Scripts for Calculating NMR … Organic Letters 21 (20), 8449, 2019