Journal ArticleDOI
The 198-225-nm Transition of Norbornadiene
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This article is published in The Journal of Physical Chemistry.The article was published on 1994-08-01. It has received 13 citations till now. The article focuses on the topics: Norbornadiene.read more
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Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
TL;DR: In this article, a set of 28 medium-sized organic molecules is assembled that cover the most important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic hydrocarbons, heterocycles, carbonyl compounds, and nucleobases.
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Two-photon-induced fluorescence.
TL;DR: This chapter includes higher-order spectroscopy, and a limited number of three- and four-photon studies are discussed.
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A combined theoretical and experimental determination of the electronic spectrum of acetone
TL;DR: In this article, a combined ab initio and experimental investigation has been performed of the main features of the electronic spectrum of acetone, and the vertical transition energies have been calculated from the ground to the ny→π*, π→π* and all Rydberg states were found to be in agreement with experiment.
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Electronic Spectra of 1,4-Cyclohexadiene and 1,3-Cyclohexadiene: A Combined Experimental and Theoretical Investigation
TL;DR: In this article, the electronically excited states of the two isomers 1,3- and 1,4-cyclohexadiene are examined by means of multiconfigurational second-order perturbation (CASPT2) theory with extended ANO-type basis.
Journal ArticleDOI
Ultrafast structural and isomerization dynamics in the Rydberg-exited quadricyclane: norbornadiene system.
Fedor Rudakov,Peter M. Weber +1 more
TL;DR: In a breakthrough observation for a polyatomic molecular system of that complexity, the photoionization from Rydberg states in the time-domain is followed to derive a measure for theTime-dependent structural dynamics and thetime-evolving structural dispersion even while the molecule is crossing electronic surfaces.