Concepedia

Solvent effect on vibrational frequencies: cryosolution experiments and density functional calculations

Andrei A. Stolov, Wouter Herrebout, Benjamin J. van der Veken

Journal of Molecular Structure · 1999 · 30 citations · 16 references

DOI

Concepts

References

16

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

Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations

James B. Foresman, Todd A. Keith, Kenneth B. Wiberg et al. · The Journal of Physical Chemistry · 1996 · 1.3K citations

, , +16

Vibrational dephasing and frequency shifts of polyatomic molecules in solution

Kenneth S. Schweizer, David Chandler · The Journal of Chemical Physics · 1982 · 392 citations

, , +17

Hartree–Fock second derivatives and electric field properties in a solvent reaction field: Theory and application

Ming Wah Wong, Kenneth B. Wiberg, Michael J. Frisch · The Journal of Chemical Physics · 1991 · 365 citations

, , +17