Theoretical study of activation of the C–H bond in C2H4 by the group 5 metal atoms (V, Nb, Ta) in the gas-phase

2011 ◽  
Vol 974 (1-3) ◽  
pp. 43-51 ◽  
Author(s):  
Cui-Lan Wang ◽  
Yong-Cheng Wang ◽  
Yan-Zi Jin ◽  
Da-Fang Ji ◽  
Mao-Ji La ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Metal Atoms ◽  
Group 5

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: A combined experimental and theoretical study

2021 ◽  
Author(s):  
Rini Prakash ◽  
Anagha Haridas ◽  
Kirubakaran Bakthavachalam ◽  
Thierry Roisnel ◽  
Jean-François Halet ◽  
...  
Keyword(s):  
General Formula ◽  
Theoretical Study ◽  
Thiol Ligands ◽  
Group 5

Thermolysis of [(Cp*Nb)2(B2H6)2], 1b, (Cp* = η5-C5Me5) with 2-mercaptobenzothiazole, C6H4NSCSH (MBT) and 2-mercaptobenzoxazole, C6H4NOCSH (MBO) yielded the hydrogen substituted compounds 2 and 3 of general formula [(Cp*Nb)2(B2H6)(B2H5L)] (2: L =...

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

Theoretical Study of the Gas-Phase Reactions of Iodine Atoms (2P3/2) with H2, H2O, HI, and OH

2010 ◽  
Vol 114 (34) ◽  
pp. 9270-9288 ◽  
Author(s):  
Sébastien Canneaux ◽  
Bertrand Xerri ◽  
Florent Louis ◽  
Laurent Cantrel
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Gas Phase Reactions

A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase

2001 ◽  
Vol 105 (10) ◽  
pp. 1869-1875 ◽  
Author(s):  
Gabriel Chuchani ◽  
Alexandra Rotinov ◽  
Juan Andrés ◽  
Luís R. Domingo ◽  
V. Sixte Safont
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Unimolecular Decomposition ◽  
Kinetics Of

A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(101̄0) surface

2011 ◽  
Vol 13 (22) ◽  
pp. 10709 ◽  
Author(s):  
You Kun Gao ◽  
Franziska Traeger ◽  
Konstantinos Kotsis ◽  
Volker Staemmler
Keyword(s):  
Gas Phase ◽  
Theoretical Study
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