Theoretical Study on the Interaction between Xenon and Positively Charged Silver Clusters in Gas Phase and on the (001) Chabazite Surface

2009 ◽  
Vol 113 (29) ◽  
pp. 12818-12825 ◽  
Author(s):  
Hoa G. Nguyen ◽  
Gabor Konya ◽  
Edward M. Eyring ◽  
Douglas B. Hunter ◽  
Thanh N. Truong
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Silver Clusters ◽  
Positively Charged

Theoretical study of through-space and through-bond electron transfer within positively charged peptides in the gas phase

2008 ◽  
Vol 269 (3) ◽  
pp. 149-164 ◽  
Author(s):  
Monika Sobczyk ◽  
Diane Neff ◽  
Jack Simons
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Theoretical Study ◽  
Charged Peptides ◽  
Positively Charged

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...

Gas-phase and Aqueous-surface Reaction Mechanism of Criegee Radicals with Serine and Nucleation of Products: a Theoretical Study

Chemosphere ◽  
2021 ◽  
pp. 130709
Author(s):  
Lei Li ◽  
Ruiying Zhang ◽  
Xiaohui Ma ◽  
Yuanyuan Wei ◽  
Xianwei Zhao ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Gas Phase ◽  
Surface Reaction ◽  
Theoretical Study ◽  
Aqueous Surface ◽  
Surface Reaction Mechanism

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

The formation of the stable radicals ˙CH2CN, CH3˙CHCN and ˙CH2CH2CN from the anions−CH2CN, CH3−CHCN and−CH2CH2CN in the gas phase. A joint experimental and theoretical study

2006 ◽  
Vol 4 (12) ◽  
pp. 2466-2472 ◽  
Author(s):  
Hayley J. Andreazza ◽  
Mark Fitzgerald ◽  
John H. Bowie
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Stable Radicals

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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