Ab Initio Study on the Unimolecular Decomposition Mechanisms and Spectroscopic Properties of CH3OF

1995 ◽  
Vol 117 (37) ◽  
pp. 9564-9569 ◽  
Author(s):  
Yitzhak Apeloig ◽  
Karsten Albrecht
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study ◽  
Unimolecular Decomposition ◽  
Decomposition Mechanisms

Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study

2001 ◽  
Vol 115 (11) ◽  
pp. 5117-5125 ◽  
Author(s):  
R. I. Kaiser ◽  
A. M. Mebel ◽  
Y. T. Lee ◽  
A. H. H. Chang
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

Ab initio Study on Spectroscopic Properties of GdF3 and GdCl3

ChemInform ◽  
2004 ◽  
Vol 35 (32) ◽  
Author(s):  
Giuseppe Lanza ◽  
Camilla Minichino
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study

Ab Initio Study of Unimolecular Decomposition of Nitroethylene

1999 ◽  
Vol 103 (50) ◽  
pp. 11040-11044 ◽  
Author(s):  
Asta Gindulytė ◽  
Lou Massa ◽  
Lulu Huang ◽  
Jerome Karle
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study

2001 ◽  
Vol 105 (8) ◽  
pp. 1302-1314 ◽  
Author(s):  
Debashis Chakraborty ◽  
Richard P. Muller ◽  
Siddharth Dasgupta ◽  
William A. Goddard
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

Ab initio study of the O4H+ novel species: spectroscopic fingerprints to aid its observation

2015 ◽  
Vol 17 (24) ◽  
pp. 16023-16032 ◽  
Author(s):  
F. George D. Xavier ◽  
Rámon Hernández-Lamoneda
Keyword(s):  
Ab Initio ◽  
Novel Species ◽  
Spectroscopic Properties ◽  
The Novel ◽  
Ab Initio Study

A detailed ab initio characterization of the structural, energetic and spectroscopic properties of the novel O4H+ species is presented.

Sign in / Sign up

Export Citation Format

Share Document