Stress tensor eigenvector following with next‐generation quantum theory of atoms in molecules
نویسندگان
چکیده
منابع مشابه
An Introduction to the Quantum Theory of Atoms in Molecules
The observation that some properties attributed to atoms and functional groups are transferable from one molecule to another has played a key role in the development of chemistry. This observation provides a basis for group additivity schemes and is exemplified by the constancy of group contributions to thermodynamic and spectroscopic properties. But what is the electronic basis of this empiric...
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These are a set of notes I have made, based on lectures given by Y.Xian at the University of Manchester Jan-June ’08. Please e-mail me with any comments/corrections: [email protected].
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2018
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.25847