Luminescent Compoundsfac- andmer-Aluminum Tris(quinolin-8-olate). A Pure and Hybrid Density Functional Theory and Time-Dependent Density Functional Theory Investigation of Their Electronic and Spectroscopic Properties

Mario Amati; Francesco Lelj

doi:10.1021/jp026981e

Luminescent Compoundsfac- andmer-Aluminum Tris(quinolin-8-olate). A Pure and Hybrid Density Functional Theory and Time-Dependent Density Functional Theory Investigation of Their Electronic and Spectroscopic Properties

The Journal of Physical Chemistry A ◽

10.1021/jp026981e ◽

2003 ◽

Vol 107 (14) ◽

pp. 2560-2569 ◽

Cited By ~ 53

Author(s):

Mario Amati ◽

Francesco Lelj

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Hybrid Density Functional ◽

Dependent Density

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A Time-Dependent Density Functional Theory Investigation of the Spectroscopic Properties of the β-Subunit in C-Phycocyanin

The Journal of Physical Chemistry B ◽

10.1021/jp064734v ◽

2006 ◽

Vol 110 (37) ◽

pp. 18665-18669 ◽

Cited By ~ 13

Author(s):

Yanliang Ren ◽

Jian Wan ◽

Xin Xu ◽

Qingye Zhang ◽

Guangfu Yang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Β Subunit ◽

Functional Theory ◽

Dependent Density

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Spectroscopic Properties Obtained from Time-Dependent Density Functional Theory (TD-DFT)

Encyclopedia of Inorganic Chemistry ◽

10.1002/0470862106.ia600 ◽

2009 ◽

Cited By ~ 1

Author(s):

Jochen Autschbach

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Functional Theory ◽

Td Dft ◽

Dependent Density

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Synthesis, structure and spectroscopic properties of Re(i) complexes incorporating 5-arylazo-8-hydroxyquinoline: a density functional theory/time-dependent density functional theory investigation

Dalton Transactions ◽

10.1039/c3dt52630e ◽

2014 ◽

Vol 43 (7) ◽

pp. 2859-2877 ◽

Cited By ~ 14

Author(s):

Rupa Sarkar ◽

Pallab Mondal ◽

Kajal Krishna Rajak

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory

Physical Review B ◽

10.1103/physrevb.92.081204 ◽

2015 ◽

Vol 92 (8) ◽

Cited By ~ 99

Author(s):

Sivan Refaely-Abramson ◽

Manish Jain ◽

Sahar Sharifzadeh ◽

Jeffrey B. Neaton ◽

Leeor Kronik

Keyword(s):

Density Functional Theory ◽

Solid State ◽

Optical Absorption ◽

Density Functional ◽

Time Dependent ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Hybrid Density Functional

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Absorption Spectroscopic Properties of AgSiO Cluster: A Time-Dependent Density Functional Theory Study

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2010.1953 ◽

2010 ◽

Vol 10 (8) ◽

pp. 5479-5482

Author(s):

Gao-Feng Zhao ◽

Jian-Min Sun ◽

Zhi Zeng ◽

Yu-Zong Gu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A ◽

Dependent Density

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Time-dependent density functional theory study on electronic and spectroscopic properties for Ph2Bq and its complexes

Theoretical Chemistry Accounts ◽

10.1007/s00214-005-0025-9 ◽

2006 ◽

Vol 117 (1) ◽

pp. 1-5 ◽

Cited By ~ 7

Author(s):

Y. L. Teng ◽

Y. H. Kan ◽

Z. M. Su ◽

Y. Liao ◽

S. Y. Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Study of the Spectroscopic Properties Related to Aggregation in the Platinum(II) Biphenyl Dicarbonyl Complex

Inorganic Chemistry ◽

10.1021/ic030084n ◽

2003 ◽

Vol 42 (24) ◽

pp. 7852-7860 ◽

Cited By ~ 32

Author(s):

Stanislav R. Stoyanov ◽

John M. Villegas ◽

D. Paul Rillema

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Calculation of Electronic Circular Dichroism Spectra with Time-Dependent Double-Hybrid Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp807366r ◽

2009 ◽

Vol 113 (4) ◽

pp. 767-776 ◽

Cited By ~ 95

Author(s):

Lars Goerigk ◽

Stefan Grimme

Keyword(s):

Density Functional Theory ◽

Circular Dichroism ◽

Density Functional ◽

Time Dependent ◽

Hybrid Density Functional Theory ◽

Circular Dichroism Spectra ◽

Functional Theory ◽

Electronic Circular Dichroism ◽

Circular Dichroïsm ◽

Hybrid Density Functional

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Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory

The Journal of Chemical Physics ◽

10.1063/1.2744026 ◽

2007 ◽

Vol 126 (20) ◽

pp. 201104 ◽

Cited By ~ 66

Author(s):

Dmitrij Rappoport ◽

Filipp Furche

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Lagrangian Approach ◽

Time Dependent ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Raman Intensities ◽

Hybrid Density Functional

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Spectroscopic Properties Obtained from Time-Dependent Density Functional Theory (TD-DFT)

Encyclopedia of Inorganic and Bioinorganic Chemistry ◽

10.1002/9781119951438.eibc0370 ◽

2011 ◽

Author(s):

Jochen Autschbach

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Functional Theory ◽

Td Dft ◽

Dependent Density

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