Ab initio and kinetics study of the thermal unimolecular decomposition of 2-furfuryl alcohol

2021 ◽  
pp. 113327
Author(s):  
Lili Xing ◽  
Liuchao Lian ◽  
Jintao Cui ◽  
Jinglan Wang ◽  
Zhanjun Cheng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Furfuryl Alcohol ◽  
Kinetics Study ◽  
Unimolecular Decomposition

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 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

scholarly journals Microwave Spectrum, Conformational Equilibrium and Ab Initio Calculations for 2-Furanmethanol (Furfuryl Alcohol).

1994 ◽  
Vol 48 ◽  
pp. 25-31 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Harald Stüger ◽  
Hans V. Volden ◽  
Dong-Ni Wang ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Furfuryl Alcohol ◽  
Conformational Equilibrium ◽  
Microwave Spectrum
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