Heterocyclization of electrophilic alkenes with tetranitromethane revisited: regiochemistry and the mechanism of nitroisoxazole formation

Hose — a novel substructure code

Wolfgang Bremser · Analytica Chimica Acta · 1978 · 318 citations

Engineering, Civil Engineering, Computer Science +6

Determination of ^•OH, O₂^•-, and Hydroperoxide Yields in Ozone Reactions in Aqueous Solution

Roman Flyunt, Achim Leitzke, Gertraud Mark et al. · The Journal of Physical Chemistry B · 2003 · 229 citations

Natural Sciences, Chemistry, Analytical Chemistry +13

Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation

Mikhail Elyashberg, Antony Williams, Gary E. Martin · Progress in Nuclear Magnetic Resonance Spectroscopy · 2007 · 160 citations

Life Sciences, Bioinformatics, Chemistry +16

Toward More Reliable ¹³C and ¹H Chemical Shift Prediction:  A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches

Yegor D. Smurnyy, Kirill A. Blinov, Tatiana Churanova et al. · Journal of Chemical Information and Modeling · 2007 · 71 citations

Natural Sciences, Chemistry, Computational Chemistry +10

Development of a fast and accurate method of 13C NMR chemical shift prediction

Kirill A. Blinov, Yegor D. Smurnyy, Tatiana Churanova et al. · Chemometrics and Intelligent Laboratory Systems · 2009 · 45 citations

Natural Sciences, Biochemistry, Chemistry +5