Theoretical Studies of the Electronic Structure and Spectroscopic Properties of [Ru(Htcterpy)(NCS)3]3–

European Journal of Inorganic Chemistry ◽

10.1002/ejic.200601052 ◽

2007 ◽

Vol 2007 (15) ◽

pp. 2171-2180 ◽

Author(s):

Ming-Xia Li ◽

Hong-Xing Zhang ◽

Xin Zhou ◽

Qing-Jiang Pan ◽

Hong-Gang Fu ◽

...

Keyword(s):

Electronic Structure ◽

Spectroscopic Properties ◽

Theoretical Studies

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Theoretical studies of molecular structure, electronic structure, spectroscopic properties and the ancillary ligand effect: A comparison of tris–chelate ML3-type and ML2X-type species for gallium(III) complexes with N,O-donor phenolic ligand, 2-(2-hydroxyphenyl)benzothiazole

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2010.12.032 ◽

2011 ◽

Vol 78 (2) ◽

pp. 809-817 ◽

Author(s):

Yi-Ping Tong ◽

Yan-Wen Lin

Keyword(s):

Molecular Structure ◽

Electronic Structure ◽

Type Species ◽

Spectroscopic Properties ◽

Theoretical Studies ◽

Ancillary Ligand ◽

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Theoretical studies on the electronic structure and spectroscopic properties of zinc(II) bis(dipyrrinate)s

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.12.018 ◽

2015 ◽

Vol 1054 ◽

pp. 88-92 ◽

Author(s):

G.B. Guseva ◽

A.A. Ksenofontov ◽

E.V. Antinа

Keyword(s):

Electronic Structure ◽

Spectroscopic Properties ◽

Theoretical Studies

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Theoretical studies on the electronic structure and spectroscopic properties of transition metals bis(dipyrrinate)s

Molecular Physics ◽

10.1080/00268976.2016.1195927 ◽

2016 ◽

Vol 114 (19) ◽

pp. 2838-2847 ◽

Author(s):

Alexander A. Ksenofontov ◽

Galina B. Guseva ◽

Elena V. Antina

Keyword(s):

Electronic Structure ◽

Transition Metals ◽

Spectroscopic Properties ◽

Theoretical Studies

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ELECTRONIC STRUCTURE OF ADDUCTS OF Eu(III) TRIS-b-DIKETONATES WITH PHENANTHROLINE: PHOTOELECTRON AND THEORETICAL STUDIES

Журнал структурной химии ◽

10.15372/jsc20170607 ◽

2017 ◽

Keyword(s):

Electronic Structure ◽

Theoretical Studies

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Electronic structure and spectroscopic properties of copper catecholate complexes with interligand charge-transfer behavior

Inorganica Chimica Acta ◽

10.1016/s0020-1693(00)82924-2 ◽

1993 ◽

Vol 204 (2) ◽

pp. 189-193 ◽

Author(s):

Roland Benedix ◽

Arnd Vogler

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Spectroscopic Properties ◽

Transfer Behavior

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Fe-N-C Catalysts for Oxygen Reduction Reaction: A Computational Analysis of Electronic Structure and Spectroscopic Properties

ECS Meeting Abstracts ◽

10.1149/ma2021-02391139mtgabs ◽

2021 ◽

Vol MA2021-02 (39) ◽

pp. 1139-1139

Author(s):

Charlotte Gallenkamp ◽

Lingmei Ni ◽

Vera Krewald ◽

Ulrike I. Kramm

Keyword(s):

Electronic Structure ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Computational Analysis ◽

Spectroscopic Properties ◽

Reduction Reaction

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Substituent Effect on the Electronic Structure and UV/Vis. Spectroscopic Properties of Polyacetylene Oligomers for Photovoltaic Devices: DFT and TD-DFT based investigations

Materials Today Proceedings ◽

10.1016/j.matpr.2021.08.166 ◽

2021 ◽

Vol 47 ◽

pp. 6359-6363

Author(s):

Pallavi V. Rathod ◽

Reshma S. Pingale ◽

Anjali Kshirsagar ◽

Subhash S. Pingale

Keyword(s):

Electronic Structure ◽

Substituent Effect ◽

Spectroscopic Properties ◽

Photovoltaic Devices ◽

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Electronic structure, topological analysis and spectroscopic properties of sandwich indenyl complexes of ruthenium: A theoretical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.04.030 ◽

2019 ◽

Vol 1189 ◽

pp. 219-224

Author(s):

Souhila Laib ◽

Wahiba Boussebbat

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Topological Analysis ◽

Spectroscopic Properties ◽

Indenyl Complexes

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Theoretical Study of the Electronic Structure and Spectroscopic Properties of a New Diatomic Molecule: BeB

The Journal of Physical Chemistry ◽

10.1021/j100099a019 ◽

1994 ◽

Vol 98 (48) ◽

pp. 12570-12578 ◽

Author(s):

Fernando R. Ornellas ◽

Anna Regina S. Valentim

Keyword(s):

Electronic Structure ◽

Diatomic Molecule ◽

Theoretical Study ◽

Spectroscopic Properties

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Theoretical studies on the electronic structure, charge distribution and vibrational spectra of diglyme–M+-AsF6− (M=Li, Na, K)

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.02.047 ◽

2008 ◽

Vol 71 (3) ◽

pp. 1056-1062 ◽

Author(s):

Rahul V. Pinjari ◽

Kaustubh A. Joshi ◽

Shridhar P. Gejji

Keyword(s):

Electronic Structure ◽

Charge Distribution ◽

Vibrational Spectra ◽

Theoretical Studies

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