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Pregled bibliografske jedinice broj: 453788

Optical spectrum of proflavine and its ions

Bonaca, Ana; Bilalbegović, Goranka
Optical spectrum of proflavine and its ions // Chemical physics letters, 493 (2010), 1/3; 33-36 doi:10.1016/j.cplett.2010.05.003 (međunarodna recenzija, članak, znanstveni)

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Naslov
Optical spectrum of proflavine and its ions

Autori
Bonaca, Ana ; Bilalbegović, Goranka

Izvornik
Chemical physics letters (0009-2614) 493 (2010), 1/3; 33-36

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
astrophysics; astrochemistry; biology; density functional theory; time-dependent density functional theory

Sažetak
Motivated by possible astrophysical and biological applications we calculate visible and near UV spectral lines of proflavine (C_13H_11N_3, 3, 6-diaminoacridine) in vacuum, as well as its anion, cation, and dication. The pseudopotential density functional and time-dependent density functional methods are used. We find a good agreement in spectral line positions calculated by two real-time propagation methods and the Lanczos chain method. Spectra of proflavine and its ions show characteristic UV lines which are good candidates for a detection of these molecules in interstellar space and various biological processes.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA

Projekti:
119-1191458-1011 - Elektronska svojstva površina i nanostruktura

Ustanove:
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Avatar Url Goranka Bilalbegović (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com www.sciencedirect.com

Citiraj ovu publikaciju:

Bonaca, Ana; Bilalbegović, Goranka
Optical spectrum of proflavine and its ions // Chemical physics letters, 493 (2010), 1/3; 33-36 doi:10.1016/j.cplett.2010.05.003 (međunarodna recenzija, članak, znanstveni)
Bonaca, A. & Bilalbegović, G. (2010) Optical spectrum of proflavine and its ions. Chemical physics letters, 493 (1/3), 33-36 doi:10.1016/j.cplett.2010.05.003.
@article{article, author = {Bonaca, Ana and Bilalbegovi\'{c}, Goranka}, year = {2010}, pages = {33-36}, DOI = {10.1016/j.cplett.2010.05.003}, keywords = {astrophysics, astrochemistry, biology, density functional theory, time-dependent density functional theory}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2010.05.003}, volume = {493}, number = {1/3}, issn = {0009-2614}, title = {Optical spectrum of proflavine and its ions}, keyword = {astrophysics, astrochemistry, biology, density functional theory, time-dependent density functional theory} }
@article{article, author = {Bonaca, Ana and Bilalbegovi\'{c}, Goranka}, year = {2010}, pages = {33-36}, DOI = {10.1016/j.cplett.2010.05.003}, keywords = {astrophysics, astrochemistry, biology, density functional theory, time-dependent density functional theory}, journal = {Chemical physics letters}, doi = {10.1016/j.cplett.2010.05.003}, volume = {493}, number = {1/3}, issn = {0009-2614}, title = {Optical spectrum of proflavine and its ions}, keyword = {astrophysics, astrochemistry, biology, density functional theory, time-dependent density functional theory} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus

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