The elusive structure of CrCl₂ - A combined computational and gas-phase electron-diffraction study

Keyphrases

• Gas-phase Electron Diffraction 100%
• CrCl2 100%
• Diffraction Studies 100%
• Chromium 28%
• Cluster Formation 28%
• Dichlorides 28%
• Renner-Teller 28%
• Cr Atom 28%
• High Temperature 14%
• Thermodynamics 14%
• Low Energy 14%
• Two Dimensional 14%
• Global Minimum 14%
• Vibrational Spectra 14%
• Density Functional Calculations 14%
• Coupled Cluster 14%
• Metal Center 14%
• Small Changes 14%
• Kohn-Sham 14%
• Symmetry Breaking 14%
• Electron Diffraction 14%
• Trimer 14%
• Electronic States 14%
• Complete Active Space Self-consistent Field (CASSCF) 14%
• Coupling State 14%
• Bond Angle 14%
• Constant Change 14%
• Diffraction Data 14%
• Structural Distortion 14%
• Lowest-energy Structure 14%
• Ring Structure 14%
• Bend Geometry 14%
• State Average 14%
• Spin Coupling 14%
• Jahn-Teller Distortion 14%
• Four-membered Rings 14%
• Pseudo Jahn-Teller Effect 14%
• Vibronic Interaction 14%
• Spin Quantum number 14%
• Solid-state Structures 14%
• Antiferromagnetically Coupled 14%
• Gas-phase Clusters 14%

Chemistry

• Electron Diffraction 100%
• Chlordiazepoxide 100%
• formation 66%
• Electronic State 33%
• Ground State 33%
• Coupled Cluster 33%
• CASSCF Calculation 33%
• Nucleation 33%
• Bond Angle 33%
• Jahn-Teller Effect 33%
• Monomer 33%
• Quantum Number 33%
• dimer 33%
• Oligomer 33%
• Vibrational Spectra 33%
• Density Functional Theory 33%