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1 Ergebnisse
1
Orientational Disorder in Crystalline Disubstituted Benzene..:
Ctirad Červinka
;
Vojtěch Štejfa
;
Václav Pokorný
..
doi:10.1021/acs.cgd.3c01057.s001. , 2023
Link:
https://doi.org/10.1021/acs.cgd.3c01057.s001
RT Journal T1
Orientational Disorder in Crystalline Disubstituted Benzenes and Its Implications for Sublimation and Polymorphism
UL https://suche.suub.uni-bremen.de/peid=base-ftunivoxfordfig:oai:figshare.com:article_24550528&Exemplar=1&LAN=DE A1 Ctirad Červinka A1 Vojtěch Štejfa A1 Václav Pokorný A1 Petr Touš A1 Květoslav Růžička YR 2023 K1 Biophysics K1 Biochemistry K1 Neuroscience K1 Physiology K1 Science Policy K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 vapor pressure measurements K1 since multiple orientations K1 related configurational effects K1 described satisfactorily within K1 density functional theory K1 ab initio calculations K1 crystalline disubstituted benzenes K1 particular molecular interactions K1 nitro substituents attached K1 four target materials K1 exhibit static disorder K1 crystalline phases K1 thermodynamic properties K1 phase behavior K1 orientational disorder K1 local disorder K1 lie close K1 large potential K1 experimental study K1 electronic energy K1 demonstrated computationally K1 d3 framework K1 current pbe K1 combined computational K1 arise due K1 appreciable contributions JF doi:10.1021/acs.cgd.3c01057.s001 LK http://dx.doi.org/https://doi.org/10.1021/acs.cgd.3c01057.s001 DO https://doi.org/10.1021/acs.cgd.3c01057.s001 SF ELIB - SuUB Bremen
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