Concepedia

A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine

Oksana Plekan, Vitaliy Feyer, Robert Richter, Marcello Coreno, Monica de Simone, Kevin C. Prince, Irina L. Zaytseva, J. Schirmer

Chemical Physics · 2007 · 171 citations · 50 references

DOI

Concepts

References

50

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

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

, , +13

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel et al. · Journal of Computational Chemistry · 1983 · 7.1K citations

, , +6

Beyond the random-phase approximation: A new approximation scheme for the polarization propagator

J. Schirmer · Physical review. A, General physics · 1982 · 1.1K citations

, , +14