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Advances in computationalphotochemistry and chemiluminescenceof biological and nanotechnologicalmolecules
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi och biologi.ORCID-id: 0000-0002-8453-5664
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2017 (engelsk)Inngår i: Photochemistry / [ed] Elisa Fasani and Angelo Albini, Royal Society of Chemistry, 2017, 44, s. 16-60Kapittel i bok, del av antologi (Fagfellevurdert)
Abstract [en]

Recent advances (2014–2015) in computational photochemistry and chemiluminescencederive from the development of theory and from the application of state-of-the-art andnew methodology to challenging electronic-structure problems. Method developmentshave mainly focused, first, on the improvement of approximate and cheap methods toprovide a better description of non-adiabatic processes, second, on the modification ofaccurate methods in order to decrease the computation time and, finally, on dynamicsapproaches able to provide information that can be directly compared with experimentaldata, such as yields and lifetimes. Applications of the ab initio quantum-chemistry methodshave given rise to relevant findings in distinct fields of the excited-state chemistry.We brieflysummarise, in this chapter, the achievements on photochemical mechanisms andchemically-induced excited-state phenomena of interest in biology and nanotechnology.

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Royal Society of Chemistry, 2017, 44. s. 16-60
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URN: urn:nbn:se:kth:diva-215153OAI: oai:DiVA.org:kth-215153DiVA, id: diva2:1146666
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QC 20171004

Tilgjengelig fra: 2017-10-03 Laget: 2017-10-03 Sist oppdatert: 2017-10-04bibliografisk kontrollert

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Farahani, Pooria

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