화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics
Carpenter BK, Ezra GS, Farantos SC, Kramer ZC, Wiggins S
Journal of Physical Chemistry B, 122(13), 3230, 2018
2 Toward Understanding the Roaming Mechanism in H plus MgH -> Mg plus HH Reaction
Mauguiere FAL, Collins P, Stamatiadis S, Li A, Ezra GS, Farantos SC, Kramer ZC, Carpenter BK, Wiggins S, Guo H
Journal of Physical Chemistry A, 120(27), 5145, 2016
3 Reaction Path Bifurcation in an Electrocyclic Reaction: Ring-Opening of the Cyclopropyl Radical
Kramer ZC, Carpenter BK, Ezra GS, Wiggins S
Journal of Physical Chemistry A, 119(25), 6611, 2015
4 Water Catalysis and Anticatalysis in Photochemical Reactions: Observation of a Delayed Threshold Effect in the Reaction Quantum Yield
Kramer ZC, Takahashi K, Skodje RT
Journal of the American Chemical Society, 132(43), 15154, 2010