Concepedia

Chiral separation of asenapine enantiomers by capillary electrophoresis and characterization of cyclodextrin complexes by NMR spectroscopy, mass spectrometry and molecular modeling

Zoltán‐István Szabó, Gergő Tóth, Gergely Völgyi, Balázs Komjáti, Gabriel Hancu, Lajos Szente, Tamás Sohajda, Szabolcs Béni, Daniela-Lucia Muntean, Béla Noszál

Journal of Pharmaceutical and Biomedical Analysis · 2015 · 46 citations · 21 references

DOI

Concepts

References

21

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

, , +19

The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 12.5K citations

, , +21

Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.5K citations

, , +20

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.3K citations

, , +17

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +10