CONFORMATIONAL LANDSCAPE OF 3-MERCAPTOPROPIONIC ACID AND METHYL 3-MERCAPTOPROPIONATE REVEALED BY MICROWAVE SPECTROSCOPY AND THEORETICAL CALCULATIONS

2019 ◽  
Author(s):  
Weslley Silva ◽  
Jennifer van Wijngaarden
Keyword(s):  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Mercaptopropionic Acid ◽  
Conformational Landscape

Gas-phase synthetic pathways to benzene and benzonitrile: a combined microwave and thermochemical investigation

2019 ◽  
Vol 21 (6) ◽  
pp. 2946-2956 ◽  
Author(s):  
Kin Long Kelvin Lee ◽  
Brett A. McGuire ◽  
Michael C. McCarthy
Keyword(s):  
Low Temperature ◽  
Gas Phase ◽  
Molecular Clouds ◽  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Temperature Conditions ◽  
Thermochemical Investigation

Microwave spectroscopy and theoretical calculations show the formation of benzene – traced by benzonitrile – is efficient at low temperature conditions relevant to cold molecular clouds such as TMC-1.

Structure and C⋯N tetrel-bonding of the isopropylamine–CO2 complex studied by microwave spectroscopy and theoretical calculations

2020 ◽  
Vol 22 (16) ◽  
pp. 8467-8475 ◽  
Author(s):  
Tao Lu ◽  
Jiaqi Zhang ◽  
Qian Gou ◽  
Gang Feng
Keyword(s):  
Hydrogen Bonds ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Aliphatic Amines ◽  
Rotational Spectroscopy ◽  
Tetrel Bond

The structural and energetic features of C⋯N tetrel bond and C–H⋯O hydrogen bonds linking CO2 and aliphatic amines were characterized with rotational spectroscopy and quantum chemical calculations.

Theoretical Calculations, Microwave Spectroscopy, and Ring-Puckering Vibrations of 1,1-Dihalosilacyclopent-2-enes

2020 ◽  
Vol 124 (40) ◽  
pp. 8254-8262
Author(s):  
Thomas M. C. McFadden ◽  
Frank E. Marshall ◽  
Esther J. Ocola ◽  
Jaan Laane ◽  
Gamil A. Guirgis ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Ring Puckering

XUV Absorption Spectra of Carbon Ions

1988 ◽  
Vol 102 ◽  
pp. 71-73
Author(s):  
E. Jannitti ◽  
P. Nicolosi ◽  
G. Tondello
Keyword(s):  
Absorption Spectra ◽  
Cross Section ◽  
Theoretical Calculations ◽  
Photoionization Cross Section ◽  
Carbon Ions

AbstractThe photoabsorption spectra of the carbon ions have been obtained by using two laser-produced plasmas. The photoionization cross-section of the CV has been absolutely measured and the value at threshold, σ=(4.7±0.5) × 10−19cm2, as well as its behaviour at higher energies agrees quite well with the theoretical calculations.

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