Results 21 to 30 of about 137,620 (330)

Towards quantitative accuracy in first-principles transport calculations: The GW method applied to alkane/gold junctions

open access: yesBeilstein Journal of Nanotechnology, 2011
The calculation of the electronic conductance of nanoscale junctions from first principles is a long-standing problem in the field of charge transport.
Mikkel Strange, Kristian S. Thygesen
doaj   +1 more source

Salix purpurea and Eleocharis obtusa Rhizospheres Harbor a Diverse Rhizospheric Bacterial Community Characterized by Hydrocarbons Degradation Potentials and Plant Growth-Promoting Properties

open access: yesPlants, 2021
Phytoremediation, a method of phytomanagement using the plant holobiont to clean up polluted soils, is particularly effective for degrading organic pollutants.
Fahad Alotaibi   +3 more
doaj   +1 more source

Growth of Rhodococcus sp. strain BCP1 on gaseous n-alkanes: New metabolic insights and transcriptional analysis of two soluble di-iron monooxygenase genes [PDF]

open access: yes, 2015
Rhodococcus sp. strain BCP1 was initially isolated for its ability to grow on gaseous n-alkanes, which act as inducers for the co-metabolic degradation of low-chlorinated compounds.
Cappelletti M.   +6 more
core   +2 more sources

Features of the Hydrocarbon Distribution in the Bottom Sediments of the Norwegian and Barents Seas

open access: yesFluids, 2021
The results of the study of hydrocarbons (HCs): aliphatic (AHCs) and polycyclic aromatic hydrocarbons (PAHs) in bottom sediments (2019 and 2020, cruises 75 and 80 of the R/V Akademik Mstislav Keldysh) in the Norwegian-Barents Sea basin: Mohns Ridge ...
Inna A. Nemirovskaya   +1 more
doaj   +1 more source

Crystallization of medium length 1-alcohols in mesoporous silicon: An X-ray diffraction study [PDF]

open access: yes, 2008
The linear 1-alcohols n-C16H33OH, n-C17H35OH, n-C19H37OH have been imbibed and solidified in lined up, tubular mesopores of silicon with 10 nm and 15 nm mean diameters, respectively. X-ray diffraction measurements reveal a set of six discrete orientation
Anke Henschel   +4 more
core   +1 more source

Transient and intermediate carbocations in ruthenium tetroxide oxidation of saturated rings

open access: yesBeilstein Journal of Organic Chemistry, 2019
The ruthenium tetroxide-mediated oxidation of cyclopentane, tetrahydrofuran, tetrahydrothiophene and N-substituted pyrrolidines has been studied computationally by DFT and topological (analysis of the electron localization function, ELF) methods.
Manuel Pedrón   +5 more
doaj   +1 more source

Hybrid Silsesquioxane/Benzoate Cu7-Complexes: Synthesis, Unique Cage Structure, and Catalytic Activity

open access: yesMolecules, 2022
A series of phenylsilsesquioxane-benzoate heptacopper complexes 1–3 were synthesized and characterized by X-ray crystallography. Two parallel routes of toluene spontaneous oxidation (into benzyl alcohol and benzoate) assisted the formation of the ...
Alexey N. Bilyachenko   +10 more
doaj   +1 more source

SAFT-γ force field for the simulation of molecular fluids: 8. hetero-group coarse-grained models of perfluoroalkylalkanes assessed with new vapour-liquid interfacial tension data [PDF]

open access: yes, 2016
The air-liquid interfacial behaviour of linear perfluoroalkylalkanes (PFAAs) is reported through a combined experimental and computer simulation study.
Almedia, M   +5 more
core   +2 more sources

Comparative Analysis of Epicuticular Lipids in Locusta migratoria and Calliptamus italicus: A Possible Role in Susceptibility to Entomopathogenic Fungi

open access: yesInsects, 2022
Cuticular lipids protect insects from desiccation and may determine resistance to fungal pathogens. Nonetheless, the trade-off between these lipid functions is still poorly understood.
Mariya D. Ganina   +5 more
doaj   +1 more source

Novel method for the measurement of liquid film thickness during fuel spray impingement on surfaces [PDF]

open access: yes, 2016
This paper describes the development and application of a novel optical technique for the measurement of liquid film thickness formed on surfaces during the impingement of automotive fuel sprays.
Beyrau, F   +3 more
core   +1 more source

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