Jürgen Breidung

Max-Planck-Institut für Kohlenforschung — Germany

Physics and Astronomy · Physical Sciences

22h-index1.4kcitations79works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(54), Inorganic Fluorides and Related Compounds(28), Molecular Spectroscopy and Structure(28), Atmospheric Ozone and Climate(14), Synthesis and characterization of novel inorganic/organometallic compounds(11)

Publications79 total

Equilibrium Structures of the Phosphorus Trihalides PF<sub>3</sub> and PCl<sub>3</sub>, and the Phosphoranes PH<sub>3</sub>F<sub>2</sub>, PF<sub>5</sub>, PCl<sub>3</sub>F<sub>2</sub>, and PCl<sub>5</sub>
The Journal of Physical Chemistry A·2019· 12 citedOpen Access
Equilibrium Structures of Pyrazine, s-Triazine, and s-Tetrazine
The Journal of Physical Chemistry C·2018· 5 cited
The v4= 1 and v4= 2 rovibrational levels of PF3 revisited: New solutions for old topics
Journal of Molecular Spectroscopy·2015· 4 cited
Correlated Ab Initio and Density Functional Studies on H<sub>2</sub> Activation by FeO<sup>+</sup>
Journal of Chemical Theory and Computation·2014· 123 cited
On the Solvent‐free Structure of a <i>Jäger</i>‐type Cobalt(II) N<sub>2</sub>O<sub>2</sub>‐Chelate Complex
Zeitschrift für anorganische und allgemeine Chemie·2014· 5 cited
CCDC 1002923: Experimental Crystal Structure Determination
The Cambridge Structural Database·2014Open Access
(Hexafluorosilicato-κ<sup>2</sup><i>F</i>,<i>F</i>′)bis(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>′)zinc(II) methanol monosolvate
Acta Crystallographica Section C Crystal Structure Communications·2013· 1 cited
CCDC 898077: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
CCDC 969445: Experimental Crystal Structure Determination
The Cambridge Structural Database·2013Open Access
A Z′=6 crystal structure of (E)-N,N′-dicyclohexylacetamidine
Journal of Molecular Structure·2012· 4 cited
Reversible crystal-to-crystal phase transition of a 4,4′-bipyridine-linked dinuclear copper(II) complex
Structural Chemistry·2012· 3 cited
Prediction of Vibrational Spectra from<scp>Ab</scp>Initio Theory
2011· 23 citedOpen Access
CCDC 795104: Experimental Crystal Structure Determination
The Cambridge Structural Database·2011Open Access
On the structure of unsolvated free-base 5,10,15,20-tetra(3-pyridyl)porphyrin
Journal of Molecular Structure·2010· 12 cited
Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations
Canadian Journal of Chemistry·2009· 70 cited
Thermochemistry of the Fluoroformyloxyl Radical:  A Computational Study Based on Coupled Cluster Theory
The Journal of Physical Chemistry A·2005· 14 cited
Rotation spectrum and high resolution infrared spectra of the fundamental bands of 121SbD3. Determination of the ground state and equilibrium structures. Ab initio calculations of the spectroscopic parameters
Journal of Molecular Structure·2005· 9 cited
Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces
Theoretical Chemistry Accounts·2005· 13 cited
Stark effect in X2Y4 molecules: Application to ethylene
Journal of Molecular Structure·2005· 7 cited
Rotation spectrum and infrared fundamental bands of<sup>123</sup>SbD<sub>3</sub>. Determination of molecular geometry and<b><i>ab initio</i></b>calculations of spectroscopic parameters
Molecular Physics·2005· 11 cited
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Frequent Co-authors

Walter Thiel(49), H. Bürger(24), J. Demaison(13), M. Bogey(7), Michael Senzlober(7), L. Margulès(6), Helmut Beckers(6), W. Jerzembeck(5), Carsten Kötting(4), Wolfram Sander(4), Helge Willner(4), Pascal Dréan(4), Adam Walters(4), S. Bailleux(3), Radek Fajgаr(3), Josef Pola(3), L. F. Constantin(3), Peter Paplewski(3), Winfried Schneider(3), R. Kuna(2)