序号：1

作者：Yushi Wen

期刊：JPCC

标题：Twin Induced Sensitivity Enhancement of HMX versus Shock: AMolecular Reactive Force Field Simulation

网址: http://pubs.acs.org/doi/abs/10.1021/jp4072795?prevSearch=RDX&searchHistoryKey=

序号：2

作者：Roman V.Tsyshevsky

期刊：JPCA

标题：Thermal Decomposition Mechanisms of Nitroesters: Ab InitioModeling of Pentaerythritol Tetranitrate

网址: http://pubs.acs.org/doi/abs/10.1021/jp407754q?prevSearch=RDX&searchHistoryKey=

序号：3

作者：Naomi Rom

期刊：JPCC

标题：First-Principles-Based Reaction Kinetics for Decompositionof Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations

网址: http://pubs.acs.org/doi/abs/10.1021/jp404907b?prevSearch=RDX&searchHistoryKey=

序号：4

作者：Chenpeng Zang

期刊：Phys. Rev. B

标题：Indentation strength ofultraincompressible rhenium boride, carbide, and nitride from first-principlescalculations

网址: http://prb.aps.org/abstract/PRB/v86/i1/e014108

序号：5

作者：Ming-MinZhong

期刊：JPCC

标题：Phase Stability, Physical Properties, and Hardness ofTransition-Metal Diborides MB2 (M = Tc, W, Re, and Os): First-PrinciplesInvestigations

网址: http://pubs.acs.org/doi/abs/10.1021/jp400204c?prevSearch=SUPERHARD&searchHistoryKey=