Computer simulation of photoinduced molecular motion and reactivity
The use of the computer to simulate light induced chemical processes has given access to a detailed description of the molecular motion and mechanism underlying the reactivity of organic and bio-organic chromophores. Thus, different computational strategies and tools can now be operated like “virtua...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2002-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/S1110662X02000107 |
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| Summary: | The use of the computer to simulate light induced chemical processes has given access to
a detailed description of the molecular motion and mechanism underlying the reactivity of organic and
bio-organic chromophores. Thus, different computational strategies and tools can now be operated like
“virtual spectrometers” to characterize the photoinduced molecular deformation and reactivity of a given
chromophore. Furthermore, a systematic computer investigation of a wide range of photochemical organic
reactions during the last decade, has lead to novel concepts that allow the chemist to formulate the mechanism
of a photochemical reaction in a rigorous way and with a language which is familiar to chemists. |
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| ISSN: | 1110-662X |