Free jet rotational spectra in natural abundance of the 13 C and 15 N isotopic species, structures and ab initio calculations of equatorial and axial pyrrolidine

2001 ◽  
Vol 599 (1-3) ◽  
pp. 89-93 ◽  
Author(s):  
Biagio Velino ◽  
Aldo Millemaggi ◽  
Adele Dell'Erba ◽  
Walther Caminati
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Natural Abundance ◽  
Rotational Spectra ◽  
Free Jet ◽  
Isotopic Species

Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculations and microwave spectroscopy

2007 ◽  
Vol 127 (16) ◽  
pp. 164302 ◽  
Author(s):  
Cristina Puzzarini ◽  
Gabriele Cazzoli ◽  
Agostino Baldacci ◽  
Alessandro Baldan ◽  
Christine Michauk ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Equilibrium Structure ◽  
Microwave Spectroscopy ◽  
Rotational Spectra ◽  
Isotopic Species

Rotational spectra, conformational structures and dipole moments of 2-(ethylthio)ethanol by jet-cooled FTMW and ab initio calculations

2004 ◽  
Vol 223 (1) ◽  
pp. 9-19 ◽  
Author(s):  
R.D. Suenram ◽  
D.F. Plusquellic ◽  
F.J. Lovas ◽  
A.R. Hight Walker ◽  
Qiang Liu ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dipole Moments ◽  
Rotational Spectra

Vibrational and rotational spectra, conformations and ab initio calculations of thiocyanatoethene

1995 ◽  
Vol 26 (8-9) ◽  
pp. 799-812 ◽  
Author(s):  
J. A. Beukes ◽  
P. Klaeboe ◽  
H. Møllendal ◽  
C. J. Nielsen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Rotational Spectra

The Molecular Structures of HNC and HCN Derived from the Eight Stable Isotopic Species

1976 ◽  
Vol 31 (11) ◽  
pp. 1394-1397 ◽  
Author(s):  
E. F. Pearson ◽  
R. A. Creswell ◽  
M. Winnewisser ◽  
G. Winnewisser
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational State ◽  
Molecular Structures ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Isotopic Species ◽  
Stable Isotopic ◽  
Rotational Transitions

Abstract Ground vibrational state rotational transitions have been measured for the following isotopic species of HNC: H15NC, H15N13C, DN13C, D15NC and D15N13C. Similar transitions have also been measured for H13C15N and D13C15N. These measurements complete the set of rotational constants for the eight stable isotopic species of the two molecules. Molecular structures are calculated from these data in several ways and are compared with the results of recent ab initio calculations.

Free jet rotational spectrum and ab initio calculations of acetanilide

2000 ◽  
Vol 24 (10) ◽  
pp. 821-824 ◽  
Author(s):  
Walther Caminati ◽  
Assimo Maris ◽  
Aldo Millemaggi
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Rotational Spectrum ◽  
Free Jet

Free-Jet Rotational Spectrum and ab Initio Calculations of Formanilide

2001 ◽  
Vol 205 (1) ◽  
pp. 173-176 ◽  
Author(s):  
Paolo Ottaviani ◽  
Sonia Melandri ◽  
Assimo Maris ◽  
Paolo G. Favero ◽  
Walther Caminati
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Rotational Spectrum ◽  
Free Jet
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