Computational study of the gas phase reaction of hydrogen azide and corannulene: A DFT study

2015 ◽  
Vol 1070 ◽  
pp. 94-101 ◽  
Author(s):  
Adel Reisi-Vanani ◽  
Somayeh Rahimi ◽  
Syamak Nasiri Kokhdan ◽  
Hossein Ebrahimpour-Komleh
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Dft Study ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Hydrogen Azide

A computational study on the gas phase reaction of Os+ with N2O

2009 ◽  
Vol 20 (8) ◽  
pp. 1010-1014 ◽  
Author(s):  
Tao Hong Li ◽  
Chuan Ming Wang ◽  
Shi Wen Yu ◽  
Xiang Yi Liu ◽  
Hui Fu ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Competitive activation of C–H and C–X bonds in gas phase reaction of Pt with CH2FCl: A DFT study

2010 ◽  
Vol 959 (1-3) ◽  
pp. 8-14 ◽  
Author(s):  
Tao Hong Li ◽  
Chuan Ming Wang ◽  
Xiao Guang Xie ◽  
Zhu Ming Jian
Keyword(s):  
Gas Phase ◽  
Dft Study ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Competitive Activation

Computational study of the I2O5+ H2O = 2 HOIO2 gas-phase reaction

2016 ◽  
Vol 662 ◽  
pp. 114-119 ◽  
Author(s):  
Sarah Khanniche ◽  
Florent Louis ◽  
Laurent Cantrel ◽  
Ivan Černušák
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Computational study on the mechanism for the gas-phase reaction of dimethyl disulfide with OH

2010 ◽  
Vol 111 (3) ◽  
pp. 644-651 ◽  
Author(s):  
Wenliang Wang ◽  
Jingfan Xin ◽  
Yue Zhang ◽  
Weina Wang ◽  
Yanxia Lu
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Dimethyl Disulfide ◽  
Phase Reaction ◽  
Gas Phase Reaction

A DFT study on the mechanism of the gas phase reaction of ground-state Y (4d15s2,2D) with 2-butyne

2009 ◽  
Vol 915 (1-3) ◽  
pp. 105-111 ◽  
Author(s):  
Tao Hong Li ◽  
Chuan Ming Wang ◽  
Shi Wen Yu ◽  
Xiang Yi Liu ◽  
Hui Fu ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Dft Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Experimental and Computational Study of the Gas-Phase Reaction of O(1D) Atoms with VF5

2013 ◽  
Vol 117 (5) ◽  
pp. 814-820
Author(s):  
Asylkhan A. Rakhymzhan ◽  
Alexey I. Chichinin ◽  
Vitaly G. Kiselev ◽  
Nina P. Gritsan
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Phase Reaction ◽  
Gas Phase Reaction

Mechanisms for H2 and CH3 elimination in the gas phase reaction of propyne with Zr: A DFT study

2009 ◽  
Vol 475 (1-3) ◽  
pp. 34-39 ◽  
Author(s):  
Tao Hong Li ◽  
Chuan Ming Wang ◽  
Shi Wen Yu ◽  
Xiang Yi Liu ◽  
Hui Fu ◽  
...  
Keyword(s):  
Gas Phase ◽  
Dft Study ◽  
Phase Reaction ◽  
Gas Phase Reaction
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