Concepedia

Regio- and stereoselectivity of [3+2] cycloaddition reactions between (Z)-1-(anthracen-9-yl)-N-methyl nitrone and analogs of trans-β-nitrostyrene on the basis of MEDT computational study

Karolina Kula, Mikołaj Sadowski

Chemistry of Heterocyclic Compounds · 2023 · 28 citations · 35 references

DOI

Concepts

References

35

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 7K citations

, , +17

Formulation of the reaction coordinate

Ken–ichi Fukui · The Journal of Physical Chemistry · 1970 · 3.5K citations

, , +5

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Maurizio Cossi, Vincenzo Barone, Roberto Cammi et al. · Chemical Physics Letters · 1996 · 3.4K citations

, , +17