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Non-adiabatic chemistry

The recent availability of theoretical developments implemented in widely available quantum chemistry software means that the theoretical study of non-adiabatic chemistry is also coming of age , with many applications oriented practitioners now using calculations to support their ideas and experiments. For example, an algorithm for finding the minimum energy point on a conical intersection [1] was made available in Gaussian in the 1990s, and most quantum chemistry codes now have this feature. [Pg.182]

Keywords Computational chemistry Excited states Photochemistry Electronic spectroscopy Non-adiabatic chemistry Jahn-Teller theory... [Pg.107]


See other pages where Non-adiabatic chemistry is mentioned: [Pg.201]    [Pg.36]   
See also in sourсe #XX -- [ Pg.107 ]




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Non-adiabaticity

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