Joint Experimental and DFT Study of the Gas-Phase Unimolecular Elimination Kinetic of Methyl Trifluoropyruvate

2010 ◽  
Vol 114 (30) ◽  
pp. 7892-7897 ◽  
Author(s):  
María M. Tosta ◽  
José R. Mora ◽  
Tania Córdova ◽  
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Dft Study ◽  
Methyl Trifluoropyruvate ◽  
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scholarly journals DFT Study on the Gas Phase Reactions of Pt+ and Pt with CO2

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Vol 25 (8) ◽  
pp. 4783-4787
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Gas Phase ◽  
Dft Study ◽  
Gas Phase Reactions

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

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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

Combined gas-phase electron diffraction/mass spectrometry and DFT study of the molecular structure of zinc(II) etioporphyrin-II

2015 ◽  
Vol 26 (5-6) ◽  
pp. 1521-1530 ◽  
Author(s):  
Natalya V. Tverdova ◽  
Alexander E. Pogonin ◽  
Anatoly A. Ischenko ◽  
Valentina D. Rumyantseva ◽  
Oscar I. Koifman ◽  
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Molecular Structure ◽  
Mass Spectrometry ◽  
Electron Diffraction ◽  
Gas Phase ◽  
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Gas Phase Electron Diffraction

DFT Study of deNOxReactions in the Gas Phase: Mimicking the Reaction Mechanism over BaNaY Zeolites

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Vol 113 (24) ◽  
pp. 6730-6739 ◽  
Author(s):  
Chun-Yi Sung ◽  
Randall Q. Snurr ◽  
Linda J. Broadbelt
Keyword(s):  
Reaction Mechanism ◽  
Gas Phase ◽  
Dft Study

The DFT study on C–H activation of ethene by YNH+ and YC2H3N+ in gas phase

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Vol 363 (1-3) ◽  
pp. 1-6 ◽  
Author(s):  
Yong-Cheng Wang ◽  
Hui-Zhen Li ◽  
Zhi-Yuan Geng ◽  
Qing-Li Zhang ◽  
Yu-Bing Si ◽  
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Gas Phase ◽  
Dft Study

N-doped CNT nanocatalyst prepared from camphor and urea for gas phase desulfurization: Experimental and DFT study

2018 ◽  
Vol 85 ◽  
pp. 121-131 ◽  
Author(s):  
Ebrahim Ghasemy ◽  
Hosein Banna Motejadded ◽  
Alimorad rashidi ◽  
Tayebeh Hamzehlouyan ◽  
Zohreh Yousefian
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Gas Phase ◽  
Dft Study

scholarly journals Gas-phase acidities of organic acids based on 9H-fluorene scaffold: a DFT study

2021 ◽  
Author(s):  
Baharak Farzin ◽  
Hamid Saeidian ◽  
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Javad Mokhtari Aliabad
Keyword(s):  
Organic Acids ◽  
Gas Phase ◽  
Dft Study
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