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SERS spectrum and DFT calculations of 6-nitrochrysene on silver islands

E.A. Carrasco Flores, M.M. Campos Vallette, R. E. Clavijo, Patricio Leyton, G Diaz F, Rainer Koch

Vibrational Spectroscopy · 2004 · 17 citations · 17 references

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17

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

, , +15

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Surface-enhanced spectroscopy

Martin Moskovits · Reviews of Modern Physics · 1985 · 5.4K citations

, , +17

Vibrational frequency prediction using density functional theory

Ming Wah Wong · Chemical Physics Letters · 1996 · 1.2K citations

, , +14