Concepedia

Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-4,6-dimethoxypyrimidine

N. Sundaraganesan, K. Sathesh Kumar, C. Meganathan, B. Dominic Joshua

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2006 · 46 citations · 18 references

DOI

Concepts

References

18

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

Spectrometric identification of organic compounds

Robert M. Silverstein, G. Clayton Bassler · Journal of Chemical Education · 1962 · 14.3K citations

, , +12

Optimization of equilibrium geometries and transition structures

H. Bernhard Schlegel · Journal of Computational Chemistry · 1982 · 3.9K citations

, , +14

Spectrometric identification of organic compounds

Journal of Molecular Structure · 1972 · 2.5K citations

, , +12