Density Functional Theory Study oftrans-Dioxo Complexes of Iron, Ruthenium, and Osmium with Saturated Amine Ligands,trans-[M(O)2(NH3)2(NMeH2)2]2+ (M=Fe, Ru, Os), and Detection of [Fe(qpy)(O)2]n+ (n=1, 2) by High-Resolution ESI Mass Spectrometry

2008 ◽  
Vol 14 (18) ◽  
pp. 5495-5506 ◽  
Author(s):  
Glenna So Ming Tong ◽  
Ella Lai-Ming Wong ◽  
Chi-Ming Che
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
High Resolution ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Esi Mass Spectrometry ◽  
Amine Ligands

scholarly journals Synthesis, antioxidant activity, and density functional theory study of catechin derivatives

RSC Advances ◽  
2017 ◽  
Vol 7 (85) ◽  
pp. 54136-54141 ◽  
Author(s):  
Jing Wang ◽  
Han Tang ◽  
Bo Hou ◽  
Pan Zhang ◽  
Qi Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
Antioxidant Activity ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
H Nmr ◽  
C Nmr

Catechin derivatives were synthesized, and their structures were characterized by 1H-NMR, 13C-NMR, and mass spectrometry.

Mechanism of the thermal decomposition of tetramethylsilane: a flash pyrolysis vacuum ultraviolet photoionization time-of-flight mass spectrometry and density functional theory study

2018 ◽  
Vol 20 (27) ◽  
pp. 18782-18789 ◽  
Author(s):  
Xinghua Liu ◽  
Jingsong Zhang ◽  
Alexis Vazquez ◽  
Daxi Wang ◽  
Shuyuan Li
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
Thermal Decomposition ◽  
Density Functional ◽  
Vacuum Ultraviolet ◽  
Time Of Flight ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Flash Pyrolysis ◽  
Flight Mass Spectrometry

Silene/silyene conversion via 1,2-shift plays an important role in H2 elimination in the process of the thermal decomposition of tetramethylsilane.

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