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 ◽

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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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 ◽

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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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 ◽

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 ◽

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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A Rational Design for Dye Sensitizer: Density Functional Theory Study on the Electronic Absorption Spectra of Organoimido-Substituted Hexamolybdates

The Journal of Physical Chemistry C ◽

10.1021/jp3106452 ◽

2013 ◽

Vol 117 (5) ◽

pp. 2245-2251 ◽

Author(s):

Jing Wang ◽

Sha Cong ◽

Shizheng Wen ◽

Likai Yan ◽

Zhongmin Su

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Electronic Absorption ◽

Density Functional ◽

Rational Design ◽

Electronic Absorption Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Toward Panchromatic Organic Functional Molecules: Density Functional Theory Study on the Electronic Absorption Spectra of Substituted Tetraanthracenylporphyrins

The Journal of Physical Chemistry A ◽

10.1021/jp208963a ◽

2011 ◽

Vol 115 (47) ◽

pp. 13811-13820 ◽

Author(s):

Dongdong Qi ◽

Jianzhuang Jiang

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Electronic Absorption ◽

Density Functional ◽

Electronic Absorption Spectra ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

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 ◽

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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Time dependent density functional theory study of the absorption spectrum of the [Ru(4,4′-COO−-2,2′-bpy)2(X)2]4− (X=NCS, Cl) dyes in water solution

Chemical Physics Letters ◽

10.1016/j.cplett.2005.08.044 ◽

2005 ◽

Vol 415 (1-3) ◽

pp. 115-120 ◽

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Annabella Selloni ◽

Mohammad K. Nazeeruddin

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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Structure effect on transition mechanism of UV–visible absorption spectrum in polyimides: A density functional theory study

Polymer ◽

10.1016/j.polymer.2018.06.049 ◽

2018 ◽

Vol 148 ◽

pp. 356-369 ◽

Author(s):

Yanping Ma ◽

Chenchen Hu ◽

Hongxia Guo ◽

Lin Fan ◽

Shiyong Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Structure Effect ◽

Visible Absorption Spectrum ◽

Density Functional Theory Study ◽

Visible Absorption ◽

Functional Theory ◽

Transition Mechanism ◽

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Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexes

Journal of Computational Chemistry ◽

10.1002/jcc.21632 ◽

2010 ◽

Vol 32 (3) ◽

pp. 545-553 ◽

Author(s):

Wenwei Zhao ◽

Yihong Ding ◽

Qiying Xia

Keyword(s):

Density Functional Theory ◽

Absorption Spectrum ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Coumarin 102 ◽

Dependent Density ◽

Bonded Complexes ◽

Hydrogen Bonded

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