Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding

Journal of Chemical Sciences

P SHYAM VINOD KUMAR¹  V SUBRAMANIAN¹  V RAGHAVENDRA¹ 

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关键词: QTAIM;    non-covalent interaction;    chemical bonding;    H-bonding;    electron density;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

In this perspective article, the basic theory and applications of the “Quantum Theory of Atoms in Molecules” have been presented with examples from different categories of weak and hydrogen bonded molecular systems.

【 授权许可】

Unknown