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The Path to Natural Bond Orbitals
Israel Journal of Chemistry ( IF 3.2 ) Pub Date : 2021-06-17 , DOI: 10.1002/ijch.202100026
Frank Weinhold 1
Affiliation  

Some elements of the mathematical logic and the contributions of key characters involved in development of Natural Bond Orbital (NBO) concepts, as well as their numerical implementation in successive NBO program versions, are recounted in retrospective historical fashion.

中文翻译:

自然键轨道的路径

数学逻辑的一些元素和参与自然键轨道 (NBO) 概念发展的关键人物的贡献,以及它们在连续NBO程序版本中的数值实现,都以回顾性的历史方式进行了叙述。
更新日期:2021-06-17
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