المؤلفون: Eunice S. H. Gwee, Zoe L. Seeger, Dominique R. T. Appadoo, Bayden R. Wood, Ekaterina I. Izgorodina

المصدر: ACS Omega, Vol 4, Iss 3, Pp 5254-5269 (2019)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2470-1343

URL الوصول: https://doaj.org/article/8f5f00a1495c47bbb53b95c9ba62b452

المؤلفون: Ekaterina I. Izgorodina, Zoe L. Seeger, Kyoko Fujita, Anh L. P. Nguyen, Thomas G. Mason

المصدر: The Journal of Physical Chemistry B. 124:9182-9194

مصطلحات موضوعية: 010304 chemical physics, Chemistry, Hydrogen bond, Inorganic chemistry, Intermolecular force, Solvation, Ionic bonding, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Ion, chemistry.chemical_compound, Intramolecular force, 0103 physical sciences, Ionic liquid, Materials Chemistry, Molecule, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2e8b4f86c18ba36ae874316373d870d
https://doi.org/10.1021/acs.jpcb.0c07732

المؤلفون: Ekaterina I. Izgorodina, Zoe L. Seeger

المصدر: Journal of Chemical Theory and Computation. 16:6735-6753

مصطلحات موضوعية: Materials science, 010304 chemical physics, Basis (linear algebra), Geometry, Energy minimization, 01 natural sciences, Standard deviation, Computer Science Applications, Root mean square, chemistry.chemical_compound, chemistry, 0103 physical sciences, Ionic liquid, Range (statistics), Physical and Theoretical Chemistry, Dispersion (chemistry), Basis set

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8149e59086c84c561d312edf3b6a9f58
https://doi.org/10.1021/acs.jctc.0c00549

المؤلفون: Ekaterina I. Izgorodina, Zoe L. Seeger

المصدر: Journal of computational chemistryREFERENCES. 43(2)

مصطلحات موضوعية: Physics, Computational Mathematics, Delocalized electron, Valence (chemistry), Coupled cluster, Atomic orbital, Chemical physics, Intermolecular force, Physics::Atomic and Molecular Clusters, Ionic bonding, General Chemistry, London dispersion force, Order of magnitude

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce5a7433795552d259f787c79f3c353f
https://pubmed.ncbi.nlm.nih.gov/34687062

المؤلفون: Samuel Y. S. Tan, Zoe L. Seeger, David L. A. Scarborough, Ekaterina I. Izgorodina

المصدر: Chemical Reviews. 117:6696-6754

مصطلحات موضوعية: Intermolecular force, Binding energy, 02 engineering and technology, General Chemistry, Electronic structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Ion, Dipole, chemistry.chemical_compound, chemistry, Chemical physics, Polarizability, Ionic liquid, 0210 nano-technology, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0302d3e1ee37f4999eca20be196d56b4
https://doi.org/10.1021/acs.chemrev.6b00528

المؤلفون: Ekaterina I. Izgorodina, Bayden R. Wood, Eunice S. H. Gwee, Zoe L. Seeger, Dominique R. T. Appadoo

المصدر: ACS Omega
ACS Omega, Vol 4, Iss 3, Pp 5254-5269 (2019)

مصطلحات موضوعية: 010304 chemical physics, Chemistry, General Chemical Engineering, Solvation, General Chemistry, 010402 general chemistry, 01 natural sciences, Spectral line, Article, 0104 chemical sciences, Ion, lcsh:Chemistry, lcsh:QD1-999, Computational chemistry, 0103 physical sciences, Atom, Molecule, Density functional theory, Basis set, CHELPG

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4bbe5955090a7c8e2ffb1c2b07a57f8
https://pubmed.ncbi.nlm.nih.gov/31459697

المؤلفون: Zoe L. Seeger, Ekaterina I. Izgorodina, Amber N. Hancock, Luke Wylie

المصدر: Physical chemistry chemical physics : PCCP. 21(6)

مصطلحات موضوعية: Nitroxide mediated radical polymerization, Chemistry, Radical, General Physics and Astronomy, Rotational diffusion, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, 0104 chemical sciences, Ion, law.invention, chemistry.chemical_compound, Polymerization, law, Ionic liquid, Molecule, Physical and Theoretical Chemistry, 0210 nano-technology, Electron paramagnetic resonance

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0aa13e2c10bd2013bff4fa8fd3d965c
https://pubmed.ncbi.nlm.nih.gov/30334552

المؤلفون: Zoe L. Seeger, Ekaterina I. Izgorodina, Santiago Barrera Acevedo, Peter Halat

المصدر: The journal of physical chemistry. B. 121(3)

مصطلحات موضوعية: Work (thermodynamics), 010304 chemical physics, Ab initio theory, Ion pairs, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, chemistry.chemical_compound, chemistry, Chemical physics, Computational chemistry, 0103 physical sciences, Ionic liquid, Materials Chemistry, Cutoff, Physical and Theoretical Chemistry, Perturbation theory, Energy (signal processing), Fragment molecular orbital

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::beb208a939901b3340cb91c0ad6a35cc
https://pubmed.ncbi.nlm.nih.gov/27991797

المؤلفون: Ekaterina I. Izgorodina, Zoe L. Seeger, Rika Kobayashi

المصدر: The Journal of Chemical Physics. 148:193832

مصطلحات موضوعية: Tetrafluoroborate, Materials science, 010304 chemical physics, General Physics and Astronomy, Electrolyte, Interaction energy, Conductivity, 010402 general chemistry, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Chemical physics, 0103 physical sciences, Ionic liquid, Melting point, Cluster (physics), Physical and Theoretical Chemistry, Dicyanamide

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9af7182028bfd36256d61c885d577b23
https://doi.org/10.1063/1.5009791

المؤلفون: Calum S.G. Butler, Zoe L. Seeger, Toby D. M. Bell, Rico F. Tabor, Alexis I. Bishop

المصدر: The European Physical Journal E. 39

مصطلحات موضوعية: Surface (mathematics), Materials science, Light, Optical Phenomena, Gaussian, Normal Distribution, Biophysics, Color, 02 engineering and technology, 01 natural sciences, 010309 optics, symbols.namesake, Optics, Interference (communication), 0103 physical sciences, Cylinder, General Materials Science, Range (particle radiation), business.industry, Air, Surfaces and Interfaces, General Chemistry, 021001 nanoscience & nanotechnology, Wavelength, Interferometry, Lubrication, symbols, 0210 nano-technology, business, Biotechnology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e919d47d9a5028141be83c6471423b0b
https://doi.org/10.1140/epje/i2016-16014-9

المؤلفون: Richard Francis Tabor, Matthew J. Pottage, Christopher J. Garvey, David D Tan, Brendan L. Wilkinson, Zoe L. Seeger, Sean S Han, Scott Alexander Young

المصدر: Chemistry (Weinheim an der Bergstrasse, Germany). 20(43)

مصطلحات موضوعية: Surface tension, chemistry.chemical_compound, Adsorption, Azobenzene, Chemical engineering, Chemistry, Organic Chemistry, Organic chemistry, General Chemistry, Self-assembly, Carbohydrate, Micelle, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52e59c57261492464f54bfe57437235d
https://pubmed.ncbi.nlm.nih.gov/25212733