Quantum Theory of Molecules
نویسندگان
چکیده
منابع مشابه
On the quantum theory of molecules.
Transition state theory was introduced in 1930s to account for chemical reactions. Central to this theory is the idea of a potential energy surface (PES). It was assumed that such a surface could be constructed using eigensolutions of the Schrödinger equation for the molecular (Coulomb) Hamiltonian but at that time such calculations were not possible. Nowadays quantum mechanical ab initio elect...
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ژورنال
عنوان ژورنال: Nature
سال: 1951
ISSN: 0028-0836,1476-4687
DOI: 10.1038/168970b0