The molecular and electronic structure ofs‐tetrazine in the ground and first excited state: A theoretical investigation

Martin Schütz; Jürg Hutter; Hans Peter Lüthi

doi:10.1063/1.470332

The molecular and electronic structure ofs‐tetrazine in the ground and first excited state: A theoretical investigation

The Journal of Chemical Physics ◽

10.1063/1.470332 ◽

1995 ◽

Vol 103 (16) ◽

pp. 7048-7057 ◽

Cited By ~ 24

Author(s):

Martin Schütz ◽

Jürg Hutter ◽

Hans Peter Lüthi

Keyword(s):

Electronic Structure ◽

Excited State ◽

Theoretical Investigation ◽

First Excited State ◽

Molecular And Electronic Structure

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Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn12 cluster upon super-reduction

physica status solidi (RRL) - Rapid Research Letters ◽

10.1002/pssr.201409094 ◽

2014 ◽

Vol 8 (6) ◽

pp. 517-521 ◽

Cited By ~ 3

Author(s):

Yoshio Nishimoto ◽

Hirofumi Yoshikawa ◽

Kunio Awaga ◽

Marcus Lundberg ◽

Stephan Irle

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Molecular Magnet ◽

Structure Changes ◽

Molecular And Electronic Structure

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The luminescence, molecular and electronic structure, and excited state energetics of tris complexes of 4-phenylethynyl-2,6-pyridinedicarboxylic acid with Eu(III) and Tb(III) prepared in sol–gel

Optical Materials ◽

10.1016/j.optmat.2005.01.010 ◽

2005 ◽

Vol 27 (9) ◽

pp. 1529-1536 ◽

Cited By ~ 17

Author(s):

J. Sokolnicki ◽

J. Legendziewicz ◽

G. Muller ◽

J.P. Riehl

Keyword(s):

Electronic Structure ◽

Excited State ◽

Sol Gel ◽

Pyridinedicarboxylic Acid ◽

Molecular And Electronic Structure

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Back Cover: Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn12 cluster upon super-reduction (Phys. Status Solidi RRL 6/2014)

physica status solidi (RRL) - Rapid Research Letters ◽

10.1002/pssr.201470533 ◽

2014 ◽

Vol 8 (6) ◽

Author(s):

Yoshio Nishimoto ◽

Hirofumi Yoshikawa ◽

Kunio Awaga ◽

Marcus Lundberg ◽

Stephan Irle

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Molecular Magnet ◽

Back Cover ◽

Structure Changes ◽

Molecular And Electronic Structure

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Theoretical Investigation of Correlations Between Molecular and Electronic Structure and Antifungal Activity in Coumarin Derivatives: Combining Qsar and Dft Studies

Journal of Advances in Medical and Pharmaceutical Sciences ◽

10.9734/jamps/2018/22801 ◽

2018 ◽

Vol 16 (3) ◽

pp. 1-18

Author(s):

Abduljelil Ajala ◽

Adamu Uzairu ◽

Idris Suleiman ◽

Ahmed Uttu

Keyword(s):

Electronic Structure ◽

Antifungal Activity ◽

Theoretical Investigation ◽

Coumarin Derivatives ◽

Dft Studies ◽

Molecular And Electronic Structure

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Experimental and Theoretical Investigation of the Molecular and Electronic Structure of [Zn4(μ4-S){μ-S2As(CH3)2}6] and [Cd4(μ4-S){μ-S2As(CH3)2}6]: Two Possible Molecular Models of Extended Metal Chalcogenide Semiconductors†

Inorganic Chemistry ◽

10.1021/ic980914a ◽

1999 ◽

Vol 38 (6) ◽

pp. 1145-1152 ◽

Cited By ~ 11

Author(s):

Alberto Albinati ◽

Maurizio Casarin ◽

Chiara Maccato ◽

Luciano Pandolfo ◽

Andrea Vittadini

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Molecular Models ◽

Metal Chalcogenide ◽

Chalcogenide Semiconductors ◽

Molecular And Electronic Structure

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Molecular and electronic structure of nonradical homoleptic pyridyl-azo-oxime complexes of cobalt(iii) and the azo-oxime anion radical congener: an experimental and theoretical investigation

Dalton Transactions ◽

10.1039/c3dt53460j ◽

2014 ◽

Vol 43 (14) ◽

pp. 5317-5334 ◽

Cited By ~ 10

Author(s):

Shuvam Pramanik ◽

Sima Roy ◽

Tapas Ghorui ◽

Sanjib Ganguly ◽

Kausikisankar Pramanik

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Anion Radical ◽

Molecular And Electronic Structure

Synthesis and optoelectronic study of Co(iii)–pyridyl-azo-oxime complexes and isolation of Co(iii)-bound azo-oxime anion radical.

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Experimental and theoretical investigation of the molecular and electronic structure of N ′-benzylidene-N -[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic acid hydrazide

International Journal of Quantum Chemistry ◽

10.1002/qua.23086 ◽

2011 ◽

Vol 112 (4) ◽

pp. 1016-1028 ◽

Cited By ~ 4

Author(s):

Sibel Demir ◽

Muharrem Dinçer ◽

Alaaddin Çukurovali ◽

ibrahim Yilmaz

Keyword(s):

Acetic Acid ◽

Electronic Structure ◽

Theoretical Investigation ◽

Acid Hydrazide ◽

Molecular And Electronic Structure

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Theoretical Investigation of Molecular Properties of the First Excited State of the Phenoxyl Radical

The Journal of Physical Chemistry A ◽

10.1021/jp711267w ◽

2008 ◽

Vol 112 (12) ◽

pp. 2648-2657 ◽

Cited By ~ 14

Author(s):

Chi-Wen Cheng ◽

Yuan-Pern Lee ◽

Henryk A. Witek

Keyword(s):

Excited State ◽

Theoretical Investigation ◽

Phenoxyl Radical ◽

Molecular Properties ◽

First Excited State

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Experimental and theoretical investigation of the molecular and electronic structure of 3-ethoxy-4-isopropylaminocyclobut-3-ene-1,2-dione

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.04.083 ◽

2012 ◽

Vol 96 ◽

pp. 35-41 ◽

Cited By ~ 10

Author(s):

Nevin Süleymanoğlu ◽

Reşat Ustabaş ◽

Yelda Bingöl Alpaslan ◽

Fatih Eyduran ◽

Nazan Ocak İskeleli

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Molecular And Electronic Structure

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Experimental and theoretical investigation of the molecular and electronic structure ofN-cyclohexyl-2-[5-(4-pyridyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767309094215 ◽

2009 ◽

Vol 65 (a1) ◽

pp. s274-s274

Author(s):

Muharrem Dinçer ◽

Namık Özdemir ◽

Ahmet Çetin ◽

Tekin Keser

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Molecular And Electronic Structure

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