منابع مشابه
The Chemical Bond
Theories of the chemical bond aim to explain the structures and stabilities of molecules, and different theories aim for different levels of explanation. The most important theories are those that give simple explanations for the structures and stabilities of the most stable molecules ; broadly speaking, those that we find in bottles on the shelf of a laboratory. However, as experimental chemis...
متن کاملThe Representation of the Chemical Bond in Quantum Chemical Calculations
The mathematical representation of chemical bonds in molecules is discussed. The molecule is viewed as a system of weakly interacting chemical bonds. The intrabond problems and the averaged electrostatic interbond interactions are handled at the . zeroth order, while the small interbond delocalization and dispersion effects are taken into account on the basis of the perturbation theory. A speci...
متن کاملChemical Bonding: The Orthogonal Valence-Bond View
Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbita...
متن کاملEssay Valence Bond Theory for Chemical Dynamics
This essay provides a perspective on several issues in valence bond theory: the physical significance of semilocal bonding orbitals, the capability of valence bond concepts to explain systems with multireferences character, the use of valence bond theory to provide analytical representations of potential energy surfaces for chemical dynamics by the method of semiempirical valence bond potential...
متن کاملThe Art of the Chemical Bond
Chemical bonding enables scientists to take the 100-plus elements of the periodic table and combine them in myriad ways to form chemical compounds and materials. The success rate is pretty good, as more than 120 million chemical substances are currently registered by CAS, a division of the American Chemical Society. But there are still hundreds of millions more waiting to be created. Researcher...
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ژورنال
عنوان ژورنال: Nature
سال: 1961
ISSN: 0028-0836,1476-4687
DOI: 10.1038/189003a0