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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 -
2دورية أكاديمية
المؤلفون: Baswanth Oruganti (1792570), Ran Friedman (500639)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, essential dynamics sampling, reference path connecting, previous spectroscopic studies, present study establishes, newly developed procedure, predefined path cvs, tempered metadynamics simulations, explore conformational transitions, tempered metadynamics, path cv, study demonstrates, previous experimental, well understood, successfully applied, step mechanism, recent years, protein kinases, mechanistic role, limited number, intermediary role, good agreement, geometric cvs
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3
المؤلفون: Baswanth Oruganti (1792570), Ran Friedman (500639)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, essential dynamics sampling, reference path connecting, previous spectroscopic studies, present study establishes, newly developed procedure, predefined path cvs, tempered metadynamics simulations, explore conformational transitions, tempered metadynamics, path cv, study demonstrates, previous experimental, well understood, successfully applied, step mechanism, recent years, protein kinases, mechanistic role, limited number, intermediary role, good agreement, geometric cvs
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4
المؤلفون: Baswanth Oruganti (1792570), Ran Friedman (500639)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, essential dynamics sampling, reference path connecting, previous spectroscopic studies, present study establishes, newly developed procedure, predefined path cvs, tempered metadynamics simulations, explore conformational transitions, tempered metadynamics, path cv, study demonstrates, previous experimental, well understood, successfully applied, step mechanism, recent years, protein kinases, mechanistic role, limited number, intermediary role, good agreement, geometric cvs
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5
المؤلفون: Baswanth Oruganti (1792570), Ran Friedman (500639)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, essential dynamics sampling, reference path connecting, previous spectroscopic studies, present study establishes, newly developed procedure, predefined path cvs, tempered metadynamics simulations, explore conformational transitions, tempered metadynamics, path cv, study demonstrates, previous experimental, well understood, successfully applied, step mechanism, recent years, protein kinases, mechanistic role, limited number, intermediary role, good agreement, geometric cvs