Concepedia

Investigation of structure, vibrational, electronic, NBO and NMR analyses of 2-chloro-4-nitropyridine (CNP), 2-chloro-4-methyl-5-nitropyridine (CMNP) and 3-amino-2-chloro-4-methylpyridine (ACMP) by experimental and theoretical approach

G. Velraj, S. Soundharam, C. Sridevi

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 19 citations · 46 references

DOI

Concepts

References

46

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.5K citations

, , +14

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6

Self-consistent perturbation theory of diamagnetism

R. Ditchfield · Molecular Physics · 1974 · 4.4K citations

, , +13

Density Functional Theory of Electronic Structure

W. Kohn, Axel D. Becke, Robert G. Parr · The Journal of Physical Chemistry · 1996 · 3.4K citations

, , +17