Search: onr:"swepub:oai:DiVA.org:kth-215153" >
Advances in computa...
Advances in computationalphotochemistry and chemiluminescenceof biological and nanotechnologicalmolecules
-
- Farahani, Pooria, 1985- (author)
- Uppsala universitet,KTH,Teoretisk kemi och biologi,Teoretisk kemi
-
Roca-Sanjuan, Daniel (author)
-
Frances-Monerris, Antonio (author)
-
show more...
-
Fdez. Galvan, Ignacio (author)
-
- Lindh, Roland, 1958- (author)
- Uppsala universitet,Teoretisk kemi
-
Liu, Ya-Jun (author)
-
- Fernández Galván, Ignacio, 1977- (author)
- Uppsala universitet,Teoretisk kemi
-
show less...
-
(creator_code:org_t)
- 44
- Cambridge, UK : Royal Society of Chemistry, 2017
- 2017
- English.
-
In: Photochemistry. - Cambridge, UK : Royal Society of Chemistry. - 1465-1947. ; , s. 16-60, s. 16-60
- Related links:
-
https://kth.diva-por... (primary) (Raw object)
-
show more...
-
https://urn.kb.se/re...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
show less...
Abstract
Subject headings
Close
- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- kap (subject category)
Find in a library
To the university's database