Concepedia

Electron propagator theory study of 2-aminoethanol conformers

Kedong Wang, Xu Shan, Xiangjun Chen

Journal of Molecular Structure THEOCHEM · 2009 · 35 citations · 37 references

DOI

Concepts

References

37

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

, , +17

Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction

Kirk A. Peterson, David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1994 · 1.8K citations

, , +14

Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory

R. Krishnan, Michael J. Frisch, John A. Pople · The Journal of Chemical Physics · 1980 · 1.2K citations

, , +13