Concepedia

Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC) 2 ] complex

Claudio A. Téllez S., A.C. Costa, M.A. Mondragón, Gláucio B. Ferreira, O. Versiane, João Lucas Aquino Rangel, GF Lima, Aírton Abrahão Martin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2016 · 43 citations · 21 references

DOI

Concepts

References

21

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

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cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

Natural hybrid orbitals

J. P. Foster, Frank Weinhold · Journal of the American Chemical Society · 1980 · 5K citations

, , +10

Adsorption and surface-enhanced Raman of dyes on silver and gold sols

P. C. Lee, Dan Meisel · The Journal of Physical Chemistry · 1982 · 4.8K citations

, , +12

Natural bond orbital analysis of near-Hartree–Fock water dimer

Alan E. Reed, Frank Weinhold · The Journal of Chemical Physics · 1983 · 3K citations

, , +17