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1دورية أكاديمية
المؤلفون: Dina Kussainova, Athanassios Z. Panagiotopoulos
مصطلحات موضوعية: Biophysics, Microbiology, Immunology, Chemical Sciences not elsewhere classified, technological interest even, present study establishes, observed chemical composition, ab initio <, calculated equilibrium constants, observed partial pressure, gas phase depends, direct coexistence simulations, comparing model predictions, 3 sub, 2 sub, relevant experimental measurements, available experimental measurements, observe equilibrium dissociation, overall system sizes, liquid volume ratios, dp model predictions, deep potential model, experimental measurements, deep potential, equilibrium constant, simulations covered, partial pressures, dp model, vapor phase, time scales
الإتاحة: https://doi.org/10.1021/acs.jced.3c00580.s001Test
https://figshare.com/articles/journal_contribution/Molecular_Simulation_of_Lithium_Carbonate_Reactive_Vapor_Liquid_Equilibria_Using_a_Deep_Potential_Model/24911154Test -
2
المؤلفون: Dina Kussainova
المصدر: Infectious diseases: News, Opinions, Training. 11:8-13
مصطلحات موضوعية: Infectious Diseases, Immunology and Allergy, Education
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::7223efd6eae50d7b96ec8efeaa5ff2c8Test
https://doi.org/10.33029/2305-3496-2022-11-2-8-13Test -
3Modeling Chemical Reactions in Alkali Carbonate-Hydroxide Electrolytes with Deep Learning Potentials
المصدر: Journal of chemical theory and computation.
مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22313fe5911786e7e3b60ce052f59eedTest
https://pubmed.ncbi.nlm.nih.gov/36239670Test -
4
المؤلفون: Dhawal Shah, Dina Kussainova
المصدر: Fluid Phase Equilibria. 482:112-117
مصطلحات موضوعية: Steric effects, 010405 organic chemistry, Hydrogen bond, Chemistry, General Chemical Engineering, Intermolecular force, General Physics and Astronomy, 02 engineering and technology, Interaction energy, 01 natural sciences, 0104 chemical sciences, Molecular dynamics, chemistry.chemical_compound, 020401 chemical engineering, Bromide, Melting point, Physical chemistry, Phenyl group, 0204 chemical engineering, Physical and Theoretical Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::f505e32f42d89450a378b5f256559086Test
https://doi.org/10.1016/j.fluid.2018.11.017Test -
5
المؤلفون: Jeffrey M. Young, Dina Kussainova, Shuwen Yue, Athanassios Z. Panagiotopoulos, Anirban Mondal
المصدر: The Journal of chemical physics. 153(2)
مصطلحات موضوعية: Materials science, 010304 chemical physics, Liquid vapor, Vapor pressure, Sodium, General Physics and Astronomy, chemistry.chemical_element, Thermodynamics, Molecular simulation, Electrolyte, 010402 general chemistry, 01 natural sciences, Force field (chemistry), 0104 chemical sciences, Condensed Matter::Soft Condensed Matter, chemistry, Polarizability, 0103 physical sciences, Physical and Theoretical Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::012ff8cfaf7f62698dcf9c8426de27d2Test
https://pubmed.ncbi.nlm.nih.gov/32668951Test -
6
المؤلفون: Dhawal Shah, Dina Kussainova
المصدر: Separation and Purification Technology. 231:115931
مصطلحات موضوعية: Work (thermodynamics), Materials science, Diffusion, Filtration and Separation, 02 engineering and technology, Interaction energy, 021001 nanoscience & nanotechnology, Analytical Chemistry, chemistry.chemical_compound, Viscosity, Molecular dynamics, 020401 chemical engineering, chemistry, Chemical engineering, Ionic liquid, 0204 chemical engineering, 0210 nano-technology, Absorption (electromagnetic radiation), Eutectic system
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::7586d6d01c6b53b9ab251c1dfd058274Test
https://doi.org/10.1016/j.seppur.2019.115931Test