Microwave Spectrum, Conformation, Dipole Moment, and Quantum Chemical Calculations of 1-Amino-1-ethenylcyclopropane†

2000 ◽  
Vol 104 (13) ◽  
pp. 2897-2901 ◽  
Author(s):  
Karl-Magnus Marstokk ◽  
Armin de Meijere ◽  
Harald Møllendal ◽  
Karsten Wagner-Gillen
Keyword(s):  
Dipole Moment ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Microwave Spectrum

scholarly journals Improving the performance of diesel engines fuel for agricultural machinery

2020 ◽  
pp. 90-92
Author(s):  
Stanislav Alexandrovich Nagornov ◽  
Svetlana Evgenyevna Romantsova ◽  
Vladimir Anatolyevich Markov ◽  
Sa Bowen ◽  
Evgeniy Victorovich Bebenin
Keyword(s):  
Dipole Moment ◽  
Fatty Acid ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Chain Fatty Acid ◽  
Agricultural Machinery ◽  
Long Chain Fatty Acid ◽  
Camelina Oil ◽  
Long Chain ◽  
Lubricating Properties

Quantum-chemical calculations of the parameters of the synthesized molecules have been carried out. There is observed a good correlation of the values of the molecules’ dipole moment and the charge on nitrogen atoms of the investigated compounds with the lubricating properties. Products, containing molecules of long-chain fatty acid diesters obtained from technical camelina oil and triethanolamine, have good lubricating properties.

scholarly journals Conformational sampling and large amplitude motion of methyl valerate

2021 ◽  
Author(s):  
Ha Vinh Lam Nguyen ◽  
Maike Andresen ◽  
Wolfgang Stahl
Keyword(s):  
Fourier Transform ◽  
Quantum Chemical Calculations ◽  
Large Amplitude ◽  
Quantum Chemical ◽  
Microwave Spectrum ◽  
Conformational Sampling ◽  
Frequency Range ◽  
Large Amplitude Motion

The microwave spectrum of the fruit ester methyl valerate was recorded using two molecular jet Fourier transform spectrometers covering the frequency range from 2 to 40 GHz. Quantum chemical calculations...

scholarly journals Does Processing or Formation of Water Ice Mantles Affect the Capacity of Nanosilicates to Be the Source of Anomalous Microwave Emission?

2021 ◽  
Vol 8 ◽  
Author(s):  
Joan Mariñoso Guiu ◽  
Stefano Ferrero ◽  
Antonio Macià Escatllar ◽  
Albert Rimola ◽  
Stefan T. Bromley
Keyword(s):  
Dipole Moment ◽  
Interstellar Medium ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Ice Nucleation ◽  
Microwave Emission ◽  
Molecular Water ◽  
60 Ghz ◽  
Frequency Range ◽  
Water Ice

Anomalous microwave emission (AME) is detected in many astrophysical environments as a foreground feature typically peaking between 20–30 GHz and extending over a 10–60 GHz range. One of the leading candidates for the source of AME is small spinning dust grains. Such grains should be very small (approx. ≤1 nm diameter) in order for the rotational emission to fall within the observed frequency range. In addition, these nanosized grains should possess a significant dipole moment to account for the observed emissivities. These constraints have been shown to be compatible with spinning bare nanosilicate clusters, assuming that ∼1% of the total Si mass budget is held in these ultrasmall grains. Silicate dust can be hydroxylated by processing in the interstellar medium and is generally known to provide seeds for molecular water ice nucleation in denser regions. Herein, we use quantum chemical calculations to investigate how the dipole moment of Mg-rich pyroxenic (MgSiO3) nanoclusters is affected by both accretion of molecular water and dissociative hydration. Our work thus provides an indication of how the formation of water ice mantles is likely to affect the capacity of nanosilicates to generate AME.

scholarly journals Microwave Spectrum, Conformational Equilibrium and Quantum Chemical Calculations of Urethane (Ethyl Carbamate).

1999 ◽  
Vol 53 ◽  
pp. 329-334 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Pekka Suomalainen ◽  
Tapani A. Pakkanen ◽  
Markku Ahlgrén ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Conformational Equilibrium ◽  
Ethyl Carbamate ◽  
Microwave Spectrum
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