Journal of Theoretical and Computational Chemistry最新文献

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Organic crystal nucleation and growth: Little knowledge, much mystery 有机晶体的成核与生长:知识少,奥秘多
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00004-4
A. Gavezzotti
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引用次数: 0
Crystal structure prediction from molecular structure: Highlights and shadows 从分子结构预测晶体结构:亮点和阴影
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00005-6
A. Gavezzotti
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引用次数: 0
The organic crystal potential: History, development, and today's cost/performance ratios 有机晶体潜力:历史、发展和今天的成本/性能比
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00003-2
A. Gavezzotti
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引用次数: 0
Index 指数
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.09997-2
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引用次数: 0
X-ray analysis of crystals and the Cambridge structural database: Use and better uses 晶体的x射线分析和剑桥结构数据库:使用和更好的使用
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00006-8
A. Gavezzotti
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引用次数: 0
Crystal polymorphism: Conventional and real wisdom 晶型:传统与真正的智慧
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00001-9
A. Gavezzotti
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引用次数: 1
Multi-molecular asymmetric units and cocrystals: Symmetry violation 多分子不对称单元和共晶:对称性破坏
Journal of Theoretical and Computational Chemistry Pub Date : 2021-01-01 DOI: 10.1016/b978-0-12-823747-2.00009-3
A. Gavezzotti
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引用次数: 0
Dipole moments of aromatic heterocycles 芳香杂环的偶极矩
Journal of Theoretical and Computational Chemistry Pub Date : 2010-06-19 DOI: 10.1016/S1380-7323(98)80011-3
C. Párkányi, J. Aaron
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引用次数: 19
Chapter 5 Structural characterization of nano- and mesoporous materials by molecular simulations 第五章纳米和介孔材料的分子模拟结构表征
Journal of Theoretical and Computational Chemistry Pub Date : 2007-01-01 DOI: 10.1016/S1380-7323(06)80007-5
L. Vega
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引用次数: 6
Chapter 8 Thermal stability of carbon nanosystems: Molecular-dynamics simulations 第八章碳纳米系统的热稳定性:分子动力学模拟
Journal of Theoretical and Computational Chemistry Pub Date : 2007-01-01 DOI: 10.1016/S1380-7323(06)80010-5
S. Erkoç, O. B. Malcıoğlu, E. Tasci
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引用次数: 0
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