Concepedia

Theoretical study of the carbonyl-ene reaction between formaldehyde and propylene on the MgY zeolite

Hui Fu, Shouwen Xie, Aiping Fu, Tianxu Ye

Computational and Theoretical Chemistry · 2011 · 23 citations · 34 references

DOI

Concepts

References

34

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

Natural population analysis

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

, , +4

Natural hybrid orbitals

J. P. Foster, Frank Weinhold · Journal of the American Chemical Society · 1980 · 5K citations

, , +10

Natural bond orbital analysis of near-Hartree–Fock water dimer

Alan E. Reed, Frank Weinhold · The Journal of Chemical Physics · 1983 · 3K citations

, , +17

Current Status of Transition-State Theory

Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein · The Journal of Physical Chemistry · 1996 · 2.3K citations

, , +5