Concepedia

DFT analysis of substituent effects on electron-donating efficacy of pyridine

Amer A. G. Al Abdel Hamid, Sofian Kanan, Ziyad A. Taha

Research on Chemical Intermediates · 2014 · 16 citations · 40 references

DOI

Concepts

References

40

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

Photoelectrochemical cells

Michaël Grätzel · Nature · 2001 · 12.6K citations · Full text

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

, , +15

Natural population analysis

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

, , +4

Ru(II) polypyridine complexes: photophysics, photochemistry, eletrochemistry, and chemiluminescence

Alberto Juris, Vincenzo Balzani, F. Barigelletti et al. · Coordination Chemistry Reviews · 1988 · 4.8K citations

, , +11