Conformational and structural analysis of methyl hydrazinocarboxylate by microwave spectroscopy and ab initio geometry refinements

1986 ◽  
Vol 108 (15) ◽  
pp. 4364-4367 ◽  
Author(s):  
W. Caminati ◽  
A. C. Fantoni ◽  
L. Schaefer ◽  
K. Siam ◽  
C. Van Alsenoy
Keyword(s):  
Structural Analysis ◽  
Ab Initio ◽  
Microwave Spectroscopy

The conformation of ethyleneurea from microwave spectroscopy and ab initio computations

1988 ◽  
Vol 189 (1-2) ◽  
pp. 81-88 ◽  
Author(s):  
R. Cervellati ◽  
A. Degli Esposti ◽  
D.G. Lister ◽  
P. Palmieri
Keyword(s):  
Ab Initio ◽  
Microwave Spectroscopy ◽  
Ab Initio Computations

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

scholarly journals Gas phase complexes of H3N⋯CuF and H3N⋯CuI studied by rotational spectroscopy and ab initio calculations: the effect of X (X = F, Cl, Br, I) in OC⋯CuX and H3N⋯CuX

2016 ◽  
Vol 18 (19) ◽  
pp. 13638-13645 ◽  
Author(s):  
Dror M. Bittner ◽  
Susanna L. Stephens ◽  
Daniel P. Zaleski ◽  
David P. Tew ◽  
Nicholas R. Walker ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy

Complexes of H3N⋯CuF and H3N⋯CuI have been synthesised in the gas phase and characterized by microwave spectroscopy.

Conformational Equilibrium in (Cyclopropylmethyl)acetylene: a Microwave Spectroscopy and ab Initio Calculation Study

1995 ◽  
Vol 99 (7) ◽  
pp. 1867-1872 ◽  
Author(s):  
Walther Caminati ◽  
Roberto Danieli ◽  
Marwan Dakkouri ◽  
Ralf Bitschenauer
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Conformational Equilibrium ◽  
Microwave Spectroscopy

Investigation of the molecular structure of catechol by combined microwave spectroscopy and AB initio calculations

1990 ◽  
Vol 240 ◽  
pp. 263-274 ◽  
Author(s):  
Walther Caminati ◽  
Salvatore Di Bernardo ◽  
Lothar Schäfer ◽  
Susan Q. Kulp-Newton ◽  
Khamis Siam
Keyword(s):  
Molecular Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Microwave Spectroscopy
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