Ab initio prediction of gas phase molecular structure of 1-chlorsilatrane

1995 ◽  
Author(s):  
Gábor I. Csonka ◽  
Pál Hencsei
Keyword(s):  
Molecular Structure ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Prediction

The molecular structure of S-triazine in the gas phase determined from electron diffraction, infrared/raman data and ab initio force field calculations

1986 ◽  
Vol 147 (3-4) ◽  
pp. 321-329 ◽  
Author(s):  
W. Pyckhout ◽  
I. Callaerts ◽  
C. Van Alsenoy ◽  
H.J. Geise ◽  
A. Almenningen ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Force Field ◽  
Ab Initio ◽  
Gas Phase ◽  
Force Field Calculations

The molecular structure of methyl(vinyl)-N-nitroamine reinvestigated by gas phase electron diffraction and ab initio MO calculations

1997 ◽  
Vol 413-414 ◽  
pp. 521-525 ◽  
Author(s):  
Igor F. Shishkov ◽  
Lev V. Vilkov ◽  
Lyudmila V. Khristenko ◽  
Per N. Skancke
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Mo Calculations ◽  
Methyl Vinyl ◽  
Ab Initio Mo Calculations ◽  
Ab Initio Mo ◽  
Gas Phase Electron Diffraction

The molecular structure of pyridine in the gas phase determined from electron diffraction, microwave and infrared data and ab-initio force-field calculations

1987 ◽  
Vol 156 (3-4) ◽  
pp. 315-329 ◽  
Author(s):  
W. Pyckhout ◽  
N. Horemans ◽  
C. Van Alsenoy ◽  
H.J. Geise ◽  
D.W.H. Rankin
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Force Field ◽  
Ab Initio ◽  
Gas Phase ◽  
Force Field Calculations ◽  
Infrared Data

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
Sign in / Sign up

Export Citation Format

Share Document