Concepedia

Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations

James W. Boughton, Sándor Kristyán, M. C. Lin

Chemical Physics · 1997 · 18 citations · 23 references

DOI

Concepts

References

23

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

Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

Axel D. Becke · The Journal of Chemical Physics · 1992 · 3.9K citations

, , +17

Gaussian-2 theory for molecular energies of first- and second-row compounds

Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks et al. · The Journal of Chemical Physics · 1991 · 3.4K citations

, , +14

Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction

Axel D. Becke · The Journal of Chemical Physics · 1992 · 1.7K citations

, , +17