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Updated: May 31, 2025

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
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Published on: December 29, 2016

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对烯-TCNQ复合物的计算研究:石化和替代物的效应

Shubham Bajpai1, Raghu Nath Behera2

  • 1Department of Chemistry, Birla Institute of Technology and Science, Pilani - K. K. Birla Goa Campus, Zuarinagar, 403726, Goa, India.

Journal of molecular modeling
|January 22, 2025
PubMed
概括

烯和TCNQ衍生物的捐赠体-接受体复合体显示可调节的特性. 和的替代调整了相互作用能量和HOMO-LUMO差距,显示出比硫更大的影响.

关键词:
收费转移是指收费转移的情况.在 DFT 方面,它是最重要的.非共价相互作用 非共价相互作用烯烯是什么? 烯是什么?在 TCNQQ 中.这是TD-DFTT.

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