One- and two-photon Absorptions in asymmetrically substituted free-base porphyrins: A density functional theory study

Prakash Chandra Jha; Boris Minaev; Hans Ågren

doi:10.1063/1.2838776

One- and two-photon Absorptions in asymmetrically substituted free-base porphyrins: A density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.2838776 ◽

2008 ◽

Vol 128 (7) ◽

pp. 074302 ◽

Cited By ~ 4

Author(s):

Prakash Chandra Jha ◽

Boris Minaev ◽

Hans Ågren

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Free Base ◽

Functional Theory ◽

Two Photon

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Interfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111)

The Journal of Chemical Physics ◽

10.1063/1.4938259 ◽

2016 ◽

Vol 144 (2) ◽

pp. 024701 ◽

Cited By ~ 18

Author(s):

Moritz Müller ◽

Katharina Diller ◽

Reinhard J. Maurer ◽

Karsten Reuter

Keyword(s):

Density Functional Theory ◽

Intermolecular Interactions ◽

Density Functional ◽

Density Functional Theory Study ◽

Free Base ◽

Functional Theory ◽

Interfacial Charge

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Strong coupling of the single excitations in the Q-like bands of phenylene-linked free-base and zinc bacteriochlorin dimers: A time-dependent density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.1461815 ◽

2002 ◽

Vol 116 (15) ◽

pp. 6541-6548 ◽

Cited By ~ 23

Author(s):

Yoichi Yamaguchi ◽

Shiyoshi Yokoyama ◽

Shinro Mashiko

Keyword(s):

Density Functional Theory ◽

Strong Coupling ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Free Base ◽

Functional Theory ◽

Dependent Density

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Effects of solvation on one- and two-photon spectra of coumarin derivatives: A time-dependent density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.2464110 ◽

2007 ◽

Vol 126 (9) ◽

pp. 094303 ◽

Cited By ~ 38

Author(s):

Kiet A. Nguyen ◽

Paul N. Day ◽

Ruth Pachter

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Coumarin Derivatives ◽

Density Functional Theory Study ◽

Functional Theory ◽

Two Photon ◽

Photon Spectra ◽

Dependent Density

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Density functional theory study of vibronic structure of the first absorption Qx band in free-base porphin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.10.047 ◽

2006 ◽

Vol 65 (2) ◽

pp. 308-323 ◽

Cited By ~ 60

Author(s):

Boris Minaev ◽

Yan-Hua Wang ◽

Chuan-Kui Wang ◽

Yi Luo ◽

Hans Ågren

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Free Base ◽

Functional Theory ◽

Vibronic Structure

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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