Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory

Dage Sundholm

doi:10.1039/b001923m

Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory

Physical Chemistry Chemical Physics ◽

10.1039/b001923m ◽

2000 ◽

Vol 2 (10) ◽

pp. 2275-2281 ◽

Cited By ~ 89

Author(s):

Dage Sundholm

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Density Functional ◽

Time Dependent ◽

Free Base ◽

Functional Theory ◽

Dependent Density

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Modelling of electronic absorption spectrum of Pb(II)–caffeate complex by time-dependent density functional theory

Chemical Physics Letters ◽

10.1016/j.cplett.2007.02.073 ◽

2007 ◽

Vol 438 (1-3) ◽

pp. 41-46 ◽

Cited By ~ 11

Author(s):

Jean-Paul Cornard ◽

Christine Lapouge

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional calculations on the electronic absorption spectrum of free base porphin

The Journal of Chemical Physics ◽

10.1063/1.479617 ◽

1999 ◽

Vol 111 (6) ◽

pp. 2499-2506 ◽

Cited By ~ 120

Author(s):

S. J. A. van Gisbergen ◽

A. Rosa ◽

G. Ricciardi ◽

E. J. Baerends

Keyword(s):

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Density Functional Calculations ◽

Density Functional ◽

Time Dependent ◽

Free Base ◽

Dependent Density

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Density functional theory investigation of porphyrin diacid: electronic absorption spectrum and conformational inversion

Chemical Physics ◽

10.1016/s0301-0104(03)00088-0 ◽

2003 ◽

Vol 289 (2-3) ◽

pp. 397-407 ◽

Cited By ~ 37

Author(s):

Dong-Ming Chen ◽

Xia Liu ◽

Tian-Jing He ◽

Fan-Chen Liu

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Density Functional ◽

Functional Theory

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Density functional theory study of the electronic absorption spectrum of Mg-porphyrin and Mg-etioporphyrin-I

Chemical Physics Letters ◽

10.1016/s0009-2614(99)01422-0 ◽

2000 ◽

Vol 317 (3-5) ◽

pp. 392-399 ◽

Cited By ~ 51

Author(s):

D. Sundholm

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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The electronic absorption study of imide anion radicals in terms of time dependent density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.08.002 ◽

2005 ◽

Vol 61 (9) ◽

pp. 2029-2032 ◽

Cited By ~ 5

Author(s):

Marcin Andrzejak ◽

Mariusz Sterzel ◽

Marek T. Pawlikowski

Keyword(s):

Density Functional Theory ◽

Electronic Absorption ◽

Density Functional ◽

Time Dependent ◽

Absorption Study ◽

Functional Theory ◽

Dependent Density ◽

Anion Radicals

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Time-dependent density functional theory study of the absorption spectrum of [Ru(4,4′-COOH-2,2′-bpy)2(NCS)2] in water solution: influence of the pH

Chemical Physics Letters ◽

10.1016/j.cplett.2004.03.074 ◽

2004 ◽

Vol 389 (1-3) ◽

pp. 204-208 ◽

Cited By ~ 101

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Annabella Selloni

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Water Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time Dependent Density Functional Theory Study of Electronic Absorption Properties of Lead(II) Complexes with a Series of Hydroxyflavones

The Journal of Physical Chemistry A ◽

10.1021/jp0525235 ◽

2005 ◽

Vol 109 (30) ◽

pp. 6752-6761 ◽

Cited By ~ 23

Author(s):

C. Lapouge ◽

J. P. Cornard

Keyword(s):

Density Functional Theory ◽

Electronic Absorption ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Absorption Properties ◽

Functional Theory ◽

Dependent Density

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Experimental and theoretical electronic absorption spectra of 2,4‐diphenyl‐1,5‐benzothiazepine and its derivatives: Solvatochromic effect and time dependent density functional theory approach

Journal of the Chinese Chemical Society ◽

10.1002/jccs.201900063 ◽

2019 ◽

Vol 66 (12) ◽

pp. 1666-1681

Author(s):

Hussein Moustafa ◽

Mohamed E. Elshakre ◽

Huwaida M. E. Hassaneen ◽

Salwa Elramly

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Electronic Absorption ◽

Density Functional ◽

Electronic Absorption Spectra ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

Solvatochromic Effect ◽

Dependent Density

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Electronic Transitions Involved in the Absorption Spectrum and Dual Luminescence of Tetranuclear Cubane [Cu4I4(pyridine)4] Cluster: a Density Functional Theory/Time-Dependent Density Functional Theory Investigation

Inorganic Chemistry ◽

10.1021/ic061147f ◽

2006 ◽

Vol 45 (26) ◽

pp. 10576-10584 ◽

Cited By ~ 169

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Antonio Sgamellotti ◽

Elena Cariati ◽

Renato Ugo ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Time Dependent ◽

Electronic Transitions ◽

Functional Theory ◽

Cluster A ◽

Dependent Density

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Unusual shift in the visible absorption spectrum of an active ctenophore photoprotein elucidated by time-dependent density functional theory

Photochemical & Photobiological Sciences ◽

10.1007/s43630-021-00039-5 ◽

2021 ◽

Author(s):

Felix N. Tomilin ◽

Anastasia V. Rogova ◽

Ludmila P. Burakova ◽

Olga N. Tchaikovskaya ◽

Pavel V. Avramov ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Time Dependent ◽

Visible Absorption Spectrum ◽

Visible Absorption ◽

Functional Theory ◽

Dependent Density

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