当前位置:
X-MOL 学术
›
ChemistrySelect
›
论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The Unconventional Noncovalent Interactions Control: Crystallographic and Theoretical Analyses of the Crystalline Structure of 1,1′-(1-Chloro-4-methoxyphenyl)dibenzene as a Case Study
ChemistrySelect ( IF 1.9 ) Pub Date : 2023-09-01 , DOI: 10.1002/slct.202302624 Melek Hajji 1 , Amel Haouas 2 , Nadeem Abad 3 , Taha Guerfel 1
ChemistrySelect ( IF 1.9 ) Pub Date : 2023-09-01 , DOI: 10.1002/slct.202302624 Melek Hajji 1 , Amel Haouas 2 , Nadeem Abad 3 , Taha Guerfel 1
Affiliation
The significance of unconventional noncovalent interactions in crystal packing was evidenced using the crystal structure of 1,1′-(1-chloro-4-methoxyphenyl)dibenzene as a case study. The nature, energetics, and cooperativity of a network of weak interactions were evaluated using combined crystallography and dispersion-corrected DFT calculations.
中文翻译:
非常规非共价相互作用控制:以1,1'-(1-氯-4-甲氧基苯基)二苯晶体结构的晶体学和理论分析为例
以 1,1′-(1-氯-4-甲氧基苯基)二苯的晶体结构为例,证明了非常规非共价相互作用在晶体堆积中的重要性。使用组合晶体学和色散校正 DFT 计算来评估弱相互作用网络的性质、能量和协同性。
更新日期:2023-09-02
中文翻译:
非常规非共价相互作用控制:以1,1'-(1-氯-4-甲氧基苯基)二苯晶体结构的晶体学和理论分析为例
以 1,1′-(1-氯-4-甲氧基苯基)二苯的晶体结构为例,证明了非常规非共价相互作用在晶体堆积中的重要性。使用组合晶体学和色散校正 DFT 计算来评估弱相互作用网络的性质、能量和协同性。