Conformational analysis. 14. The dihaloethanes ClCH2CH2F, BrCH2CH2F, and BrCH2CH2Cl. Investigations of the molecular structures, rotameric compositions, anti and gauche energy and entropy differences, and barriers hindering internal rotation by gas-phase electron diffraction augmented by rotational constants and ab initio calculation

1990 ◽  
Vol 112 (6) ◽  
pp. 2070-2075 ◽  
Author(s):  
Jinfan Huang ◽  
Kenneth Hedberg
Keyword(s):  
Electron Diffraction ◽  
Conformational Analysis ◽  
Ab Initio ◽  
Gas Phase ◽  
Internal Rotation ◽  
Ab Initio Calculation ◽  
Molecular Structures ◽  
Rotational Constants ◽  
Gas Phase Electron Diffraction

scholarly journals Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations

2005 ◽  
pp. 3221 ◽  
Author(s):  
Holger Fleischer ◽  
Derek A. Wann ◽  
Sarah L. Hinchley ◽  
Konstantin B. Borisenko ◽  
James R. Lewis ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Molecular Structures ◽  
Gas Phase Electron Diffraction ◽  
Ab Initio And Dft

scholarly journals Molecular structures of the 1,6-disubstituted triptycenes Sb2(C6F4)3and Bi2(C6F4)3using gas-phase electron diffraction and ab initio and DFT calculations

2006 ◽  
pp. 1654-1659 ◽  
Author(s):  
Derek A. Wann ◽  
Sarah L. Hinchley ◽  
Heather E. Robertson ◽  
Nahalah A. A. Al-Jabar ◽  
Alan G. Massey ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Molecular Structures ◽  
Gas Phase Electron Diffraction ◽  
Ab Initio And Dft
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