Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion

Harry Ramanantoanina; Maja Gruden-Pavlovic; Matija Zlatar; Claude Daul

doi:10.1002/qua.24080

Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion

International Journal of Quantum Chemistry ◽

10.1002/qua.24080 ◽

2012 ◽

Vol 113 (6) ◽

pp. 802-807 ◽

Cited By ~ 17

Author(s):

Harry Ramanantoanina ◽

Maja Gruden-Pavlovic ◽

Matija Zlatar ◽

Claude Daul

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller

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Density Functional Theory Study of the Jahn−Teller Effect and Spin−Orbit Coupling for Copper and Gold Trimers

The Journal of Physical Chemistry A ◽

10.1021/jp040502p ◽

2005 ◽

Vol 109 (3) ◽

pp. 512-519 ◽

Cited By ~ 21

Author(s):

Yinghua Shen ◽

Joseph J. BelBruno

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Orbit Coupling ◽

Teller Effect ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller ◽

Jahn Teller Effect

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Charge disproportionation and Jahn-Teller distortion in LiNiO2and NaNiO2: A density functional theory study

Physical Review B ◽

10.1103/physrevb.84.085108 ◽

2011 ◽

Vol 84 (8) ◽

Cited By ~ 35

Author(s):

Hungru Chen ◽

Colin L. Freeman ◽

John H. Harding

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Teller Distortion ◽

Charge Disproportionation ◽

Jahn Teller ◽

Jahn Teller Distortion

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Density functional theory study on the dynamic Jahn-Teller effect of tetraoxaporphyrin cation and anion radicals

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.07.041 ◽

2008 ◽

Vol 868 (1-3) ◽

pp. 6-11 ◽

Cited By ~ 2

Author(s):

Mei Xiang ◽

Guo-Hua Yao ◽

Tong-Tong Lu ◽

Tian-Jing He ◽

Dong-Ming Chen

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Teller Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Anion Radicals

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Density functional theory study of the multimode Jahn–Teller problem in the open-shell corannulenes and coronenes

Chemical Physics ◽

10.1016/j.chemphys.2015.05.007 ◽

2015 ◽

Vol 460 ◽

pp. 64-74 ◽

Cited By ~ 4

Author(s):

Ljubica Andjelković ◽

Maja Gruden-Pavlović ◽

Matija Zlatar

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Open Shell ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller

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Density Functional Theory Study of the Multimode Jahn-Teller Effect – Ground State Distortion of Benzene Cation

Vibronic Interactions and the Jahn-Teller Effect - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2384-9_2 ◽

2011 ◽

pp. 25-38 ◽

Cited By ~ 2

Author(s):

Matija Zlatar ◽

Jean-Pierre Brog ◽

Alain Tschannen ◽

Maja Gruden-Pavlović ◽

Claude Daul

Keyword(s):

Density Functional Theory ◽

Ground State ◽

Density Functional ◽

Teller Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller ◽

Jahn Teller Effect

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Jahn–Teller triplet excited state structures and spectra of zinc complexes of porphyrin and phthalocyanine: A density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.1540627 ◽

2003 ◽

Vol 118 (13) ◽

pp. 5802-5810 ◽

Cited By ~ 35

Author(s):

Kiet A. Nguyen ◽

Ruth Pachter

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Density Functional ◽

Zinc Complexes ◽

Density Functional Theory Study ◽

Triplet Excited State ◽

Functional Theory ◽

Jahn Teller

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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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