Heavy atom tunnelling on XeF6 pseudorotation

XeF6 has multiple C3v equivalent minima due to the Jahn–Teller effect. Through computational means we prove that the rearrangement between isomers occurs through fluorine quantum mechanical tunnelling.

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New Insights into the Jahn-Teller Effect through ab initio Quantum-Mechanical/Molecular-Mechanical Molecular Dynamics Simulations of CuII in Water

ChemPhysChem ◽

10.1002/cphc.200300659 ◽

2003 ◽

Vol 4 (9) ◽

pp. 931-943 ◽

Cited By ~ 56

Author(s):

Christian F. Schwenk ◽

Bernd M. Rode

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Teller Effect ◽

Quantum Mechanical ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Dynamics Simulations

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The Jahn-Teller effect of the Ag2+ ion in aqueous solution: A hybrid ab initio quantum mechanical/molecular mechanical molecular dynamics simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2008.02.103 ◽

2008 ◽

Vol 455 (4-6) ◽

pp. 207-212 ◽

Cited By ~ 3

Author(s):

Chinapong Kritayakornupong

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Teller Effect ◽

Dynamics Simulation ◽

Quantum Mechanical ◽

Jahn Teller ◽

Jahn Teller Effect

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A simple quantum mechanical model that illustrates the Jahn-Teller effect

Journal of Chemical Education ◽

10.1021/ed069p819 ◽

1992 ◽

Vol 69 (10) ◽

pp. 819 ◽

Cited By ~ 7

Author(s):

Peter Senn

Keyword(s):

Mechanical Model ◽

Teller Effect ◽

Quantum Mechanical ◽

Quantum Mechanical Model ◽

Simple Quantum ◽

Jahn Teller ◽

Jahn Teller Effect

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Jahn-Teller effect

AccessScience ◽

10.1036/1097-8542.358200 ◽

2015 ◽

Keyword(s):

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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THE INFLUENCE OF THE DYNAMICAL JAHN-TELLER EFFECT OF ACCEPTORS ONTO THE PHONON-TRANSPORT MECHANISM IN CUBIC SEMICONDUCTORS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1981666 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-232-C6-234 ◽

Cited By ~ 2

Author(s):

J. Maier ◽

E. Sigmund

Keyword(s):

Transport Mechanism ◽

Phonon Transport ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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A Model of Vibronic Interaction in a Quasi-2D System: Cooperative Pseudo-Jahn-Teller Effect on a Silicon Surface with Ba Submonolayers*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.449 ◽

1996 ◽

Vol 1 (1) ◽

pp. 449-454

Author(s):

V. S. Vikhnin ◽

G. V. Benemanskaya

Keyword(s):

Silicon Surface ◽

Vibronic Interaction ◽

Teller Effect ◽

2D System ◽

Jahn Teller ◽

Jahn Teller Effect

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EPR of Cu2+-doped Cs2CO3and CsHCO3: evidence of the Jahn–Teller effect

Radiation Effects and Defects in Solids ◽

10.1080/10420150802682686 ◽

2009 ◽

Vol 164 (2) ◽

pp. 132-137

Author(s):

Fevzi Köksal ◽

Dilek Demir ◽

Rahmi Köseoğlu

Keyword(s):

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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Jahn-Teller effect and EPR of CrO3−4 centres in x-irradiated 3CdSO4 · 8H2O crystals

Journal of Physics and Chemistry of Solids ◽

10.1016/0022-3697(94)90025-6 ◽

1994 ◽

Vol 55 (8) ◽

pp. 727-735 ◽

Cited By ~ 5

Author(s):

M. Salagram ◽

T.S.N. Murthy ◽

K. Madhukar ◽

C.S. Sunandana

Keyword(s):

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground and Electronically Excited States of the Cyclic Conjugated Hydrocarbons: Cyclobutadiene, Benzene, and Cyclooctatetraene

The Journal of Physical Chemistry A ◽

10.1021/jp970615r ◽

1997 ◽

Vol 101 (31) ◽

pp. 5712-5718 ◽

Cited By ~ 23

Author(s):

Shiro Koseki ◽

Azumao Toyota

Keyword(s):

Excited States ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Electronically Excited States ◽

Conjugated Hydrocarbons ◽

Electronically Excited ◽

Jahn Teller ◽

Jahn Teller Effect

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Cooperative Jahn-Teller effect in NdMn1-xFexO3+δ (0 ≤ x ≤ 0.2)

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2020.157612 ◽

2020 ◽

pp. 157612

Author(s):

Matúš Mihalik ◽

Kornel Csach ◽

Viktor Kavečanský ◽

Marián Mihalik

Keyword(s):

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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