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Items where Person is "Ye-Cai-Chao"

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Number of items: 6.

2019

Ye, Cai-Chao and An, Qi and Zhang, Wen-Qing et al. (2019) Initial Decomposition of HMX Energetic Material from Quantum Molecular Dynamics and the Molecular Structure Transition of β- to δ-HMX. Journal of Physical Chemistry C, 123 (14). pp. 9231-9236. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20190326-085324536

2017

Ye, Cai-Chao and An, Qi and Xu, Si-Yu et al. (2017) Adsorption and decomposition of HMX and CL-20 on Al(111) surface by DFT investigation. Surface and Interface Analysis, 49 (5). pp. 441-449. ISSN 0142-2421. https://resolver.caltech.edu/CaltechAUTHORS:20170410-154117263

2016

Naserifar, Saber and Zybin, Sergey and Ye, Cai-Chao et al. (2016) Prediction of structures and properties of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N) green energetic materials from DFT and ReaxFF molecular modeling. Journal of Materials Chemistry A, 4 (4). pp. 1264-1276. ISSN 2050-7488. https://resolver.caltech.edu/CaltechAUTHORS:20160105-103711615

2015

Ye, Cai-Chao and An, Qi and Cheng, Tao et al. (2015) Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials. Journal of Materials Chemistry A, 3 (22). pp. 12044-12050. ISSN 2050-7488. https://resolver.caltech.edu/CaltechAUTHORS:20150518-144926208

Ye, Cai-Chao and An, Qi and Goddard, William A., III et al. (2015) Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material. Journal of Materials Chemistry A, 3 (5). pp. 1972-1978. ISSN 2050-7488. https://resolver.caltech.edu/CaltechAUTHORS:20141208-150241571

Ye, Cai-Chao and An, Qi and Goddard, William A., III et al. (2015) Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis-1,3,4,6-Tetranitrooctahydroimidazo-[4,5-d]imidazole] from Quantum Molecular Dynamics Simulations. Journal of Physical Chemistry C, 119 (5). pp. 2290-2296. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20150313-144216494

This list was generated on Mon Aug 3 18:32:41 2020 PDT.