Deformation of the benzene ring upon fluorination: equilibrium structures of all fluorobenzenes

Erstveröffentlichung

2013

Authors

Demaison, Jean

Rudolph, Heinz Dieter

Csaszar, Attila G.

Wissenschaftlicher Artikel

Published in

Molecular physics ; 111 (2013), 9-11, SI. - S. 1539-1562. - ISSN 0026-8976. - eISSN 1362-3028

Link to publication

https://dx.doi.org/10.1080/00268976.2013.793843

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: ab initio | fluorobenzene | equilibrium structures | semiexperimental structure | ring distortions | spectroscopic constants | structural refinement | VIBRATION-ROTATION INTERACTION | MOLECULAR QUADRUPOLE-MOMENT | PHASE ELECTRON-DIFFRACTION | ANHARMONIC-FORCE FIELDS | MIXED ESTIMATION METHOD | F-19 NMR-SPECTRA | MICROWAVE-SPECTRUM | ab-initio | BASIS-SETS | DIPOLE-MOMENT
[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences

Metadata

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