Concepedia

Theoretical and kinetic study of reaction C2H + C3H6 on the C5H7 potential energy surface

Chun-Ming Gong, Hongbo Ning, Zerong Li, Xiangyuan Li

Theoretical Chemistry Accounts · 2014 · 14 citations · 30 references

DOI

Concepts

References

30

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

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

, , +11

An improved algorithm for reaction path following

Carlos A. Gonzalez, H. Bernhard Schlegel · The Journal of Chemical Physics · 1989 · 6.1K citations

, , +9

A complete basis set model chemistry. VI. Use of density functional geometries and frequencies

John A. Montgomery, Michael J. Frisch, Joseph W. Ochterski et al. · The Journal of Chemical Physics · 1999 · 2.7K citations

, , +11

Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern et al. · The Journal of Chemical Physics · 1997 · 2.1K citations

, , +16