Ab initio and DFT calculation of molecular structure and proton affinity for selected chalcogenobispyridines

2007 ◽  
Vol 818 (1-3) ◽  
pp. 131-139 ◽  
Author(s):  
G. Bruno ◽  
F. Nicolò ◽  
G. Tresoldi ◽  
S. Lanza ◽  
A. Rotondo
Keyword(s):  
Molecular Structure ◽  
Ab Initio ◽  
Proton Affinity ◽  
Dft Calculation ◽  
Ab Initio And Dft

The molecular structure of using gas-phase electron diffraction and ab initio and DFT calculations

2007 ◽  
Vol 692 (5) ◽  
pp. 1161-1167 ◽  
Author(s):  
Derek A. Wann ◽  
Sarah L. Hinchley ◽  
Heather E. Robertson ◽  
Matthew D. Francis ◽  
John F. Nixon ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Gas Phase Electron Diffraction ◽  
Ab Initio And Dft

Molecular Structure of 1-Isothiocyanatosilatrane:  Ab Initio and DFT Calculations

1999 ◽  
Vol 38 (1) ◽  
pp. 197-200 ◽  
Author(s):  
Gyusung Chung ◽  
Ohyun Kwon ◽  
Younghi Kwon
Keyword(s):  
Molecular Structure ◽  
Dft Calculations ◽  
Ab Initio ◽  
Ab Initio And Dft

The molecular structure of Sc(hfa)3 (hfa=1,1,1,5,5,5-hexafluoropentane-2,4-dionato) studied by gas electron diffraction and ab initio and DFT calculations

2005 ◽  
Vol 779 (1-3) ◽  
pp. 23-29 ◽  
Author(s):  
Natalya V. Belova ◽  
Georgiy V. Girichev ◽  
Sarah L. Hinchley ◽  
Natalya P. Kuzmina ◽  
David W.H. Rankin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Electron Diffraction ◽  
Ab Initio And Dft
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