【序号】：1
【作者】：Rubik Asatryan

【题名】：Quantum Chemical Study of the Acrolein (CH2CHCHO) + OH + O2 Reactions

【期刊】：JPCA

【全文】：http://pubs.acs.org/doi/abs/10.1021/jp104828a

【序号】：2
【作者】：N.N Ge

【题名】：Initial Decomposition of the Condensed-Phase β-HMX under Shock Waves: Molecular Dynamics Simulations

【期刊】：JPCb

【全文】：http://pubs.acs.org/doi/abs/10.1021/jp309120t

【序号】：3

【作者】：Onise Sharia

【题名】：Rapid Materials Degradation Induced by Surfaces and Voids: Ab Initio Modeling of β-Octatetramethylene Tetranitramine

【期刊】：JPCb

【全文】：http://pubs.acs.org/doi/abs/10.1021/ja3044695

【序号】：4
【作者】：Onise Sharia

【题名】：Ab Initio Kinetics of Gas Phase Decomposition Reactions

【期刊】：JPCA

【全文】：http://pubs.acs.org/doi/abs/10.1021/jp108065c

【序号】：5

【作者】：Onise Sharia

【题名】：Surface-Enhanced Decomposition Kinetics of Molecular Materials Illustrated with Cyclotetramethylene-tetranitramine

【期刊】：JPCC

【全文】：http://pubs.acs.org/doi/abs/10.1021/jp301723j