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1دورية أكاديمية
المؤلفون: Roberto Macchieraldo, Lars Esser, Roman Elfgen, Pascal Voepel, Stefan Zahn, Bernd M. Smarsly, Barbara Kirchner
المصدر: ACS Omega, Vol 3, Iss 8, Pp 8567-8582 (2018)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2470-1343
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2دورية أكاديمية
المؤلفون: Lars Esser, Roberto Macchieraldo, Roman Elfgen, Melanie Sieland, Bernd Michael Smarsly, Barbara Kirchner
المصدر: Molecules, Vol 26, Iss 1, p 79 (2020)
مصطلحات موضوعية: ionic liquids, ab initio molecular dynamics simulations, TiO2, material synthesis in ionic liquids, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3
المؤلفون: Eva Perlt, Barbara Kirchner, Roman Elfgen, Werner Reckien, Shima Taherivardanjani, Estela Suarez
المصدر: Advanced theory and simulations 5(1), 2100293-(2022). doi:10.1002/adts.202100293
مصطلحات موضوعية: Statistics and Probability, ddc:050, Numerical Analysis, Multidisciplinary, Quality (physics), Materials science, Modeling and Simulation, Ab initio, Benchmarking, Molecular physics, Vibrational spectra
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c0790d150ac80b89f8106f30bb79f6e
https://hdl.handle.net/2128/30387 -
4
المؤلفون: Sascha Gehrke, Oldamur Hollóczki, Roman Elfgen
المصدر: Chemsuschem
مصطلحات موضوعية: Anions, Materials science, Polymers, General Chemical Engineering, Microplastics, Liquid-Liquid Extraction, Molecular Conformation, Ionic bonding, Ionic Liquids, Extraction, 02 engineering and technology, Molecular Dynamics Simulation, 010402 general chemistry, Molecular Dynamics, 01 natural sciences, Micelle, Ion, chemistry.chemical_compound, Very Important Paper, Phase (matter), Cations, Environmental Chemistry, General Materials Science, Micelles, chemistry.chemical_classification, Full Paper, Aqueous two-phase system, Polymer, Full Papers, 021001 nanoscience & nanotechnology, 0104 chemical sciences, General Energy, Chemical engineering, chemistry, Ionic liquid, Solvents, Particle, Thermodynamics, Nanoplastics, 0210 nano-technology
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5
المؤلفون: Jan Blasius, Oldamur Hollóczki, Roman Elfgen, Barbara Kirchner
المصدر: Physical Chemistry Chemical Physics. 22:10726-10737
مصطلحات موضوعية: 010405 organic chemistry, Hydrogen bond, Intermolecular force, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, law.invention, chemistry.chemical_compound, Crystallography, chemistry, law, Ionic liquid, Vibrational circular dichroism, Molecule, Physical and Theoretical Chemistry, Solubility, Crystallization, Isomerization
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::20636a1cd4ef64d2f63d9f1574737f21
https://doi.org/10.1039/c9cp06798a -
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المؤلفون: Lars Esser, Melanie Sieland, Barbara Kirchner, Roman Elfgen, Bernd M. Smarsly, Roberto Macchieraldo
المصدر: Molecules, Vol 26, Iss 79, p 79 (2021)
Molecules
Volume 26
Issue 1مصطلحات موضوعية: Tetrafluoroborate, MathematicsofComputing_GENERAL, Pharmaceutical Science, Chloride, Analytical Chemistry, Ab initio molecular dynamics, ionic liquids, lcsh:QD241-441, chemistry.chemical_compound, Molecular dynamics, lcsh:Organic chemistry, Drug Discovery, Titanium tetrachloride, medicine, Data_FILES, TiO2, Physical and Theoretical Chemistry, material synthesis in ionic liquids, Organic Chemistry, ab initio molecular dynamics simulations, Solvation, TheoryofComputation_MATHEMATICALLOGICANDFORMALLANGUAGES, chemistry, Chemistry (miscellaneous), Chemical physics, Ionic liquid, Molecular Medicine, Polar, medicine.drug
وصف الملف: application/pdf
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7
المؤلفون: Barbara Kirchner, Roman Elfgen, Promit Ray
المصدر: Physical Chemistry Chemical Physics. 21:4472-4486
مصطلحات موضوعية: chemistry.chemical_classification, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Ion, Ring size, chemistry.chemical_compound, Molecular dynamics, Crystallography, chemistry, Ionic liquid, Side chain, Ammonium, Physical and Theoretical Chemistry, 0210 nano-technology, Imide, Alkyl
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::619cbd6b4d9d3f8d3a9888340ff8b62e
https://doi.org/10.1039/c8cp07683a -
8
المؤلفون: Roberto Macchieraldo, Christian Schröder, Roman Elfgen, Barbara Kirchner, Fiona L. Kearns, H. Lee Woodcock, András Szabadi
مصطلحات موضوعية: Polarizable MD, Tetrafluoroborate, Materials science, Field (physics), Dynamic properties, Ab initio, Thermodynamics, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Chloride, Static properties, chemistry.chemical_compound, Molecular dynamics, Polarizability, Materials Chemistry, medicine, Physics::Chemical Physics, Physical and Theoretical Chemistry, Spectroscopy, Intermolecular force, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Ionic liquids, Dipole, chemistry, AIMD, 0210 nano-technology, medicine.drug
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09b809bf00b3cac8abba94d422d0ebf4
https://phaidra.univie.ac.at/o:1586583 -
9
المؤلفون: Lars, Esser, Roberto, Macchieraldo, Roman, Elfgen, Melanie, Sieland, Bernd Michael, Smarsly, Barbara, Kirchner
المصدر: Molecules
مصطلحات موضوعية: Anions, Titanium, material synthesis in ionic liquids, Spectrum Analysis, ab initio molecular dynamics simulations, Ionic Liquids, Water, Molecular Dynamics Simulation, Article, X-Ray Diffraction, Cations, Scattering, Small Angle, Solvents, TiO2
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10
المؤلفون: Roman Elfgen, Oldamur Hollóczki, Barbara Kirchner
المصدر: Accounts of Chemical Research. 50:2949-2957
مصطلحات موضوعية: Chemistry, 02 engineering and technology, General Medicine, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Microstructure, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Molecular dynamics, Molecular level, Chemical physics, Ionic liquid, Side chain, Polar, Organic chemistry, 0210 nano-technology, Imide, Material synthesis