Modern aspects of the Jahn− Teller effect theory and applications to molecular problems
IB Bersuker - Chemical reviews, 2001 - ACS Publications
I begin this review with a statement that the socalled Jahn-Teller (JT) effect (hereafter JTE),
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …
Molecular structure of metal halides
M Hargittai - Chemical Reviews, 2000 - ACS Publications
Molecular Structure of Metal Halides | Chemical Reviews ACS ACS Publications C&EN CAS
Find my institution Log In Chemical Reviews ACS Publications. Most Trusted. Most Cited. Most …
Find my institution Log In Chemical Reviews ACS Publications. Most Trusted. Most Cited. Most …
[图书][B] The Jahn-Teller effect and vibronic interactions in modern chemistry
I Bersuker - 2013 - books.google.com
The first half of the title of this book may delude the uninitiated reader. The term'" Jahn-Teller
effect," taken literally, refers to a special effect inherent in particular molecular systems …
effect," taken literally, refers to a special effect inherent in particular molecular systems …
The Calculation of Spectroscopic Jahn−Teller Parameters by ab Initio Methods
TA Barckholtz, TA Miller - The Journal of Physical Chemistry A, 1999 - ACS Publications
We report a general method for the calculation of Jahn− Teller coupling constants by ab
initio methods widely available today in standard packages. The vibrational frequencies …
initio methods widely available today in standard packages. The vibrational frequencies …
Jahn–Teller and spin–orbit coupling effects in transition-metal trifluorides
The effects of linear and higher-order Jahn–Teller couplings as well as spin–orbit coupling
in orbitally degenerate electronic states of the transition-metal trifluorides MnF3 and CoF3 …
in orbitally degenerate electronic states of the transition-metal trifluorides MnF3 and CoF3 …
Structural Phase Transition and Disproportionation of MnF3 Under High Pressure and High Temperature
Materials that once suffered under high-pressure and high-temperature conditions often
display unusual phenomena that challenge traditional understanding. MnF3, an …
display unusual phenomena that challenge traditional understanding. MnF3, an …
First-principles study of large-amplitude dynamic Jahn–Teller effects in vanadium tetrafluoride
Transition metal tetrahalides are a class of highly symmetric molecules for which very few
spectroscopic data exist. Exploratory ab initio calculations of electronic potential energy …
spectroscopic data exist. Exploratory ab initio calculations of electronic potential energy …
A Critical Appraisal of the Experimental Data on the Molecular Structure and Spectra of Halides, Oxides, and Hydrides of the s‐, d‐, and f‐Block Elements
IR Beattie - Angewandte Chemie International Edition, 1999 - Wiley Online Library
Evidence for unusual shapes of simple MXn molecules that are not stable under normal
conditions is critically appraised in this review, which assesses current knowledge of the …
conditions is critically appraised in this review, which assesses current knowledge of the …
Jahn−Teller Effect in VF3
VG Solomonik, JE Boggs… - The Journal of Physical …, 1999 - ACS Publications
A computational study of the two lowest-lying electronic states, 3A '2 and 3E '', of the VF3
molecule is reported. Highly sophisticated methods were used, including the coupled-cluster …
molecule is reported. Highly sophisticated methods were used, including the coupled-cluster …
Vibronic interactions in metal halide molecules
M Hargittai - Structural Chemistry, 2009 - Springer
Electron-vibrational (usually called “vibronic”) interactions in molecular systems with
electronically degenerate, or near degenerate states produce a variety of novel properties …
electronically degenerate, or near degenerate states produce a variety of novel properties …