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1دورية أكاديمية
المؤلفون: Kaycee Low, Samuel Y. S. Tan, Ekaterina I. Izgorodina
المصدر: Frontiers in Chemistry, Vol 7 (2019)
مصطلحات موضوعية: ionic liquids, hydrogen bonding, ab initio, protic ionic liquids, interaction energy, electrostatics, Chemistry, QD1-999
وصف الملف: electronic resource
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المؤلفون: Michelle Coote, Ekaterina Pas, Kaycee Low
المصدر: Journal of chemical theory and computation. 18(3)
مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications
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المؤلفون: Michael G. Gardiner, Li-Juan Yu, Kaycee Low, Stephanie A. Boer, Duncan A. Cullen, Nicholas G. White, Tobias L. Genet, Michelle L. Coote
مصطلحات موضوعية: Crystallography, chemistry.chemical_compound, Materials science, Molecular geometry, chemistry, Silicon, Hydrogen bond, Supramolecular chemistry, chemistry.chemical_element, Carboxylate, Crystal engineering, Carbon, Tetraphenylmethane
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4ce368236dac6d901ce32de4788f63b1
https://doi.org/10.26434/chemrxiv.12812000.v1 -
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المؤلفون: Duncan A. Cullen, Michael G. Gardiner, Kaycee Low, Stephanie A. Boer, Li-Juan Yu, Nicholas G. White, Michelle L. Coote, Tobias L. Genet
المصدر: Chemistry (Weinheim an der Bergstrasse, Germany). 27(5)
مصطلحات موضوعية: Hydrogen, Silicon, 010405 organic chemistry, Chemistry, Organic Chemistry, Supramolecular chemistry, chemistry.chemical_element, General Chemistry, 010402 general chemistry, Crystal engineering, 01 natural sciences, Catalysis, 0104 chemical sciences, Crystallography, chemistry.chemical_compound, Molecular geometry, Carboxylate, Carbon, Tetraphenylmethane
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المصدر: Chemical Communications. 54:11226-11243
مصطلحات موضوعية: Hydrogen bond, Enthalpy, Metals and Alloys, 02 engineering and technology, General Chemistry, Orders of magnitude (numbers), 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Chemical kinetics, Solvent, chemistry.chemical_compound, Monomer, chemistry, Polymerization, Ionic liquid, Materials Chemistry, Ceramics and Composites, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a81523edd40d1dd820513c6b2dabbb12
https://doi.org/10.1039/c8cc02012d -
7
المؤلفون: Ekaterina I. Izgorodina, Kaycee Low, Samuel Y. S. Tan
المصدر: Frontiers in Chemistry
Frontiers in Chemistry, Vol 7 (2019)مصطلحات موضوعية: Materials science, Hydrogen, Ab initio, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, London dispersion force, protic ionic liquids, lcsh:Chemistry, ionic liquids, chemistry.chemical_compound, Ab initio quantum chemistry methods, Original Research, Quantitative Biology::Biomolecules, Hydrogen bond, ab initio, General Chemistry, Interaction energy, 021001 nanoscience & nanotechnology, hydrogen bonding, electrostatics, 0104 chemical sciences, Solvent, Chemistry, lcsh:QD1-999, chemistry, Chemical physics, Ionic liquid, dispersion, 0210 nano-technology, interaction energy
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::920e82b8c65c75a0a61135a8a33738df
http://europepmc.org/articles/PMC6468050 -
8The effect of descriptor choice in machine learning models for ionic liquid melting point prediction
المؤلفون: Ekaterina I. Izgorodina, Kaycee Low, Rika Kobayashi
المصدر: The Journal of Chemical Physics. 153:104101
مصطلحات موضوعية: Materials science, 010304 chemical physics, General Physics and Astronomy, Thermodynamics, Charge density, Interaction energy, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Ion, chemistry.chemical_compound, Molecular dynamics, chemistry, 0103 physical sciences, Ionic liquid, Melting point, Molecule, Molecular orbital, Physical and Theoretical Chemistry