http://www.cnr.it/ontology/cnr/individuo/prodotto/ID39948
Ab initio study of the two-photon circular dichroism in chiral natural amino acids (Articolo in rivista)
- Type
- Label
- Ab initio study of the two-photon circular dichroism in chiral natural amino acids (Articolo in rivista) (literal)
- Anno
- 2007-01-01T00:00:00+01:00 (literal)
- Alternative label
Jansík, B.; Rizzo, A.; Ågren, H. (2007)
Ab initio study of the two-photon circular dichroism in chiral natural amino acids
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Jansík, B.; Rizzo, A.; Ågren, H. (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
- Erratum: J. Phys. Chem. B, 111 (2007), 2409-2410 (literal)
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Teoretisk Kemi, Kemisk Institut, Aarhus Universitet, Langelandsgade 140, 8000 Aarhus C, Denmark,
Istituto per i Processi Chimico-Fisici del Consiglio Nazionale delle Ricerche (IPCF-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy
Theoretical Chemistry, Royal Institute of Technology,
Roslagstullsbacken 15, SE-10691 Stockholm, Sweden (literal)
- Titolo
- Ab initio study of the two-photon circular dichroism in chiral natural amino acids (literal)
- Abstract
- Two-photon circular dichroism spectra calculated within an origin
invariant density functional theory approximation in the
absorption region where the lowest electronic excited states
appear are presented for all nineteen essential amino acids in the
gas phase. A comparison of intensities and characteristic features
is made with the corresponding two-photon absorption and
one-photon circular dichroism spectra for each species. Also, the
contribution of the electric dipole, magnetic dipole and electric
quadrupole transitions to the rotational strengths is analyzed in
some detail. The remarkable fingerprinting capabilities of the
two--photon circular dichroism spectroscopy are highlighted. (literal)
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