《Intrinsic Structures and Properties of Energetic Materials(含能材料的本征结构与性能)》系统介绍了含能材料的本征结构与性能，包括如下内容：含能材料本征结构的定义与内涵，含能晶体分类，分子模拟方法在含能材料本征结构中的应用，含能分子&含能单组分分子晶体，含能分子晶体的多晶型与晶型转变，含能离子晶体，含能共晶，含能原子晶体、含能金属晶体和含能混合型晶体，氢键、氢转移与卤键，含能晶体中的π 堆积和低感高能材料的晶体工程。

1 Overview 1
1.1 Energetic materials 1
1.2 Intrinsic structures of energetic materials 6
1.3 Benefits of the introduction of intrinsic structures 11
1.4 Intention and organization of this book 14
References 14
2 Category of energetic crystals 17
2.1 Introduction 17
2.2 Criterion for categorizing energetic crystals 18
2.2.1 Primary constituent part 18
2.2.2 Type of energetic crystals 22
2.3 Category of energetic crystals 23
2.3.1 Energetic molecular crystal 23
2.3.2 Energetic ionic crystal 30
2.3.3 Energetic atomic crystal 33
2.3.4 Energetic metallic crystal 34
2.3.5 Energetic mixed-type crystal 35
2.4 Understanding of energetic crystals 37
2.4.1 Relationship between interactions of PCPs and crystal stability 37
2.4.2 Relationship between crystal types and energy content 40
2.5 Conclusions and outlooks 40
References 41
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