Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry

2017 ◽  
Vol 7 (19) ◽  
pp. 4302-4314 ◽  
Author(s):  
Helmut Schwarz
Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry ◽  
Gas Phase ◽  
Single Atom

Genuine, single-atom catalysis can be realized in the gas phase and probed by mass spectrometry combined with computational chemistry.

Gas-phase fragmentation of protonated piplartine and its fungal metabolites using tandem mass spectrometry and computational chemistry

2017 ◽  
Vol 52 (8) ◽  
pp. 517-525 ◽  
Author(s):  
E. A. da Silva-Junior ◽  
C. R. Paludo ◽  
D. R. Gouvea ◽  
M. J. Kato ◽  
N. A. J. C. Furtado ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Computational Chemistry ◽  
Gas Phase ◽  
Tandem Mass ◽  
Fungal Metabolites ◽  
Gas Phase Fragmentation

Gas-Phase Thermolysis of a Guanidinate Precursor of Copper Studied by Matrix Isolation, Time-of-Flight Mass Spectrometry, and Computational Chemistry

2010 ◽  
Vol 49 (6) ◽  
pp. 2844-2850 ◽  
Author(s):  
Jason P. Coyle ◽  
Paul A. Johnson ◽  
Gino A. DiLabio ◽  
Seán T. Barry ◽  
Jens Müller
Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry ◽  
Gas Phase ◽  
Matrix Isolation ◽  
Time Of Flight ◽  
Flight Mass Spectrometry

A vibrational spectroscopic and computational study of the structures of protonated imidacloprid and its fragmentation products in the gas phase

2021 ◽  
Vol 23 (5) ◽  
pp. 3377-3388
Author(s):  
Kelsey J. Menard ◽  
Jonathan Martens ◽  
Travis D. Fridgen
Keyword(s):  
Computational Chemistry ◽  
Gas Phase ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
Unimolecular Decomposition ◽  
Decomposition Products

Vibrational spectroscopy and computational chemistry studies were combined with the aim of elucidating the structures of protonated imidacloprid (pIMI), and its unimolecular decomposition products.

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