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A Benchmark of Density Functional Approximations For Thermo..:
Xavier Deraet
;
Tatiana Woller
;
Ruben Van Lommel
...
https://doi.org/10.1002/open.201900085. , 2019
Link:
https://doi.org/10.1002/open.201900085
RT Journal T1
A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:daab18043050465b9d999f373b1c5d60&Exemplar=1&LAN=DE A1 Xavier Deraet A1 Tatiana Woller A1 Ruben Van Lommel A1 Prof. Frank De Proft A1 Prof. Guido Verniest A1 Prof. Mercedes Alonso PB Wiley-VCH YR 2019 K1 benchmark K1 density functional calculations K1 hydride reduction K1 quantum chemistry K1 stereochemistry K1 Chemistry K1 QD1-999 JF https://doi.org/10.1002/open.201900085 LK http://dx.doi.org/https://doi.org/10.1002/open.201900085 DO https://doi.org/10.1002/open.201900085 SF ELIB - SuUB Bremen
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