Search results for "DIIS"

showing 10 items of 135 documents

CCDC 1943808: Experimental Crystal Structure Determination

2019

Related Article: Jamie Hicks, Andreas Heilmann, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2019|Angew.Chem.,Int.Ed.|58|17265|doi:10.1002/anie.201910509

Space GroupCrystallographyCrystal Systempotassium (27-di-t-butyl-N4N5-bis[26-diisopropylphenyl]-99-dimethyl-9H-xanthene-45-diaminato)-(phenylcarbamato)-aluminium benzene solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 217617: Experimental Crystal Structure Determination

2003

Related Article: B.Zarychta, J.Zaleski, B.Gawdzik, W.Iwanek|2003|Acta Crystallogr.,Sect.E:Struct.Rep.Online|59|o1055|doi:10.1107/S160053680301393X

Space GroupCrystallographyDiisopropyl (2-hydroxy-1-naphthyl)methylphosphonateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 880663: Experimental Crystal Structure Determination

2012

Related Article: A.L.Brazeau, M.M.Hanninen, H.M.Tuononen, N.D.Jones, P.J.Ragogna|2012|J.Am.Chem.Soc.|134|5398|doi:10.1021/ja300587z

Space GroupCrystallographyN-(2-Chloro-13-bis(26-diisopropylphenyl)-132-diazaphosphetidin-4-ylidene)-26-diisopropylanilineCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 711623: Experimental Crystal Structure Determination

2011

Related Article: J.Bares, V.Sourek, Z.Padelkova, P.Meunier, N.Pirio, I.Cisarova, A.Ruzicka, J.Holecek|2010|Collect.Czech.Chem.Commun.|75|121|doi:10.1135/cccc2009093

Space GroupCrystallographybis(N-(26-diisopropylphenyl)-111-trimethylsilanamido)-lead(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1581599: Experimental Crystal Structure Determination

2018

Related Article: Jamie Hicks, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2018|Nature (London)|557|92|doi:10.1038/s41586-018-0037-y

Space GroupCrystallographybis(mu-27-di-t-butyl-N4N5-bis[26-diisopropylphenyl]-99-dimethyl-9H-xanthene-45-diamido)-bis(mu-hydrido)-diphenyl-di-aluminium-di-potassium benzene solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1943807: Experimental Crystal Structure Determination

2019

Related Article: Jamie Hicks, Andreas Heilmann, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2019|Angew.Chem.,Int.Ed.|58|17265|doi:10.1002/anie.201910509

Space GroupCrystallographybis(mu-carbonato)-bis(mu-27-di-t-butyl-N4N5-bis[26-diisopropylphenyl]-99-dimethyl-9H-xanthene-45-diaminato)-di-aluminium-di-potassium benzene solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1033917: Experimental Crystal Structure Determination

2014

Related Article: L. Dura, A. Spannenberg, T. Beweries|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|533|doi:10.1107/S1600536814024908

Tricarbonyl-[N-(diphenylphosphino)-NN'-diisopropyl-P-phenylphosphonous diamide]-cobalt(I)-tetracarbonyl-cobalt toluene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Azeotropic distillation for 1-propanol dehydration with diisopropyl ether as entrainer: Equilibrium data and process simulation

2019

Abstract Azeotropic distillation process is widely used to separate non-ideal binary mixtures into their constituent pure components. 1-Propanol dehydration was used as case study and diisopropyl ether was analysed as possible entrainer in an azeotropic distillation. The separation of some alcohols from their aqueous solution is a challenging task because these aqueous mixture forms minimum boiling azeotrope. In this way, isobaric vapor-liquid and vapour-liquid-liquid equilibrium data were measured for the 1-propanol+ water + diisopropyl ether ternary mixture at 101.3 kPa. The data were correlated by NRTL and UNIQUAC models. A separation sequence (a decanter and a single-feed distillation c…

UNIQUACChemistryThermodynamicsFiltration and Separation02 engineering and technology021001 nanoscience & nanotechnologyAnalytical Chemistrychemistry.chemical_compound1-Propanol020401 chemical engineeringFractionating columnAzeotropic distillationAzeotropeNon-random two-liquid modelIsobaric processDiisopropyl ether0204 chemical engineering0210 nano-technologySeparation and Purification Technology
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Isobaric (vapour+liquid+liquid) equilibrium data for (di-n-propyl ether+n-propyl alcohol+water) and (diisopropyl ether+isopropyl alcohol+water) syste…

2008

Abstract Isobaric (vapour + liquid + liquid) equilibria were measured for the (di-n-propyl ether + n-propyl alcohol + water) and (diisopropyl ether + isopropyl alcohol + water) system at 100 kPa. The apparatus used for the determination of (vapour + liquid + liquid) equilibrium data was an all-glass dynamic recirculating still with an ultrasonic homogenizer couple to the boiling flask. The experimental data demonstrated the existence of a heterogeneous ternary azeotrope for both ternary systems. The (vapour + liquid + liquid) equilibria data were found to be thermodynamically consistent for both systems. The experimental data were compared with the estimation using UNIQUAC and NRTL models a…

UNIQUACTernary numeral systemAnalytical chemistryIsopropyl alcoholAtomic and Molecular Physics and Opticschemistry.chemical_compoundchemistryAzeotropeNon-random two-liquid modelDiisopropyl etherOrganic chemistryIsobaric processGeneral Materials SciencePhysical and Theoretical ChemistryUNIFACThe Journal of Chemical Thermodynamics
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CCDC 889025: Experimental Crystal Structure Determination

2015

Related Article: A. R. Popescu, I. Rojo, F. Teixidor, R. Sillanpää, C. Viñas|2015|Chem.-Eur.J.|21|8613|doi:10.1002/chem.201500307

bis(78-bis(diisopropylphosphino)-78-dicarba-nido-undecaborane)-aqua-magnesium acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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