Results 31 to 40 of about 10,552,896 (248)

Ionospheric electron heating, optical emissions, and striations induced by powerful HF radio waves at high latitudes: Aspect angle dependence [PDF]

, 2003
In recent years, large electron temperature increases of 300% (3000 K above background) caused by powerful HF-radio wave injection have been observed during nighttime using the EISCAT incoherent scatter radar near Tromsø in northern Norway.
Rietveld, M. T., Kosch, M., Leyser, T., Kosch, Mike J., Rietveld, M., Leyser, T. B., Blagoveshchenskaya, N., Blagoveshchenskaya, N. F., Kornienko, V. A., Yeoman, T. K., Kornienko, V., Yeoman, T.   +11 more
core   +5 more sources

Formal Pericyclic-Coupled Electron Transfer: I. Stepwise Formal Diels-Alder Cycloaddition Enabled by Addition-Coupled Electron Transfer [PDF]

, 2022
The formal Diels-Alder (D-A) reaction of alkenes with 1,2-diimine and related substrates is designed and studied by density functional theory (DFT), multi-reference and quasi-classical trajectory calculations in the presence of a benzoquinone-based ...
Aqeel A., Husssein, Yumiao, Ma
core   +1 more source

Global MHD simulation of flux transfer events at the high-latitude magnetopause observed by the cluster spacecraft and the SuperDARN radar system [PDF]

, 2008
A global magnetohydrodynamic numerical simulation is used to study the large-scale structure and formation location of flux transfer events (FTEs) in synergy with in situ spacecraft and ground-based observations. During the main period of interest on the
Daly, P. W., Fazakerley, A. N., Lester, M., Daum, Patrick, Penz, T., Reme, H., Wild, James A., Woodfield, E. E.   +7 more
core   +5 more sources

Anaerobic oxidation of methane coupled with extracellular electron transfer to electrodes

Scientific Reports, 2017
Anaerobic oxidation of methane (AOM) is an important process for understanding the global flux of methane and its relation to the global carbon cycle. Although AOM is known to be coupled to reductions of sulfate, nitrite, and nitrate, evidence that AOM ...
Yaohuan Gao, Jangho Lee, Josh D. Neufeld, Joonhong Park, Bruce E. Rittmann, Hyung-Sool Lee   +5 more
doaj   +1 more source

Adsorption of SO2 and NO2 on ZrO2 (1 1 0) Surface: Density Functional Theory and Molecular Dynamic Simulation Studies [PDF]

Journal of Chemistry Letters, 2022
In order to save the environment, there is an urgent need for control measures due to the rapidly rising concentration of greenhouse gases in the atmosphere. Density functional theory (DFT) and molecular dynamic simulation investigations are used in this
Ayuba Muhammad, Umaru Umar
doaj   +1 more source

Theoretical insights into phosphate chains: Density functional theory study and Zinc ion insertion reaction

Results in Chemistry, 2023
The present research delves into a theoretical examination of phosphate chains using the density functional theory method with the RB3LYP/6-311G model.
A. EL Addali, A. EL Boukili, L. Boudad, H. Zouihri, M. Taibi, T. Guedira   +5 more
doaj   +1 more source

Electron-Transfer-Enhanced Cation–Cation Interactions in Homo- and Heterobimetallic Actinide Complexes: A Relativistic Density Functional Theory Study

, 2018
To provide deep insight into cation–cation interactions (CCIs) involving hexavalent actinyl species that are major components in spent nuclear fuel and pose important implications for the effective removal of radiotoxic pollutants in the environment, a ...
Jia-Nan Tian (4989014), Fang-Yuan Chen (166624), Ming Zheng (295946), Qing-Jiang Pan (1489102)   +3 more
core   +1 more source

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

Molecules, 2019
The [3 + 2] cycloaddition (32CA) reaction of an α-santonin derivative, which has an exocyclic C⁻C double bond, with p-bromophenyl nitrile oxide yielding only one spiroisoxazoline, has been studied within the molecular electron density theory ...
Luis R. Domingo, Mar Ríos-Gutiérrez, Nivedita Acharjee   +2 more
doaj   +1 more source

On the question of the correlation between kinetic Dimroth parameters and global electron density transfer in [4+2]-π-electron cycloaddition reactions

Current Chemistry Letters
The correlation between coefficients from Dimroth equations and descriptors of global electron density transfer was explored based on the data available in the recent literature. We established that the obtained results should be very usable for the interpretation of the organic reactivity and molecular mechanisms.
Karolina Anna Kula, Agnieszka Łapczuk, Przemysław Konrad Woliński, Mikołaj Sadowski   +3 more
openaire   +1 more source

Physicochemical, antioxidant properties of carotenoids and its optoelectronic and interaction studies with chlorophyll pigments

Scientific Reports, 2021
The physicochemical and antioxidant properties of seven carotenoids: antheraxanthin, β-carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by theoretical means.
Ruby Srivastava
doaj   +1 more source