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Welcome |
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Computational chemistry is an increasingly useful tool in modern chemistry.
Quantum chemical calculations can routinely predict properties of molecules
with sufficient accuracy. This mini-site provides a brief concise introduction to the subject of
potential energy surfaces in small molecules, their calculation and the
effects of intersecting topologies, in particular, the conical intersection. |
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Potential Energy Surfaces and Conical Intersections • June 2002 • Ian Grant |