Concepedia

A theoretical study of subphthalocyanine and its nitro- and tertbutyl-derivatives

Víctor R. Ferro, José M. Garcı́a de la Vega, Raúl Gonzalez‐Jonte, Luis A. Poveda

Journal of Molecular Structure THEOCHEM · 2001 · 31 citations · 30 references

Concepts

Natural SciencesChemistryPhysicsOrganic ChemistryQuantum ChemistryTheoretical ChemistryChemical ThermodynamicsHeterocyclic CompoundsMolecular ModelingMolecular Orbital TheoryOrganic Electronic MaterialsOrganic SemiconductorsSmall-molecule Organic SemiconductorsSubstituent Effects On Reaction RatesSubstituent Electronic Parameters

References

30

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

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

Natural Sciences, Chemistry, Physics +13

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

Natural Sciences, Chemistry, Physics +10

Spectra of porphyrins

Martin Gouterman · Journal of Molecular Spectroscopy · 1961 · 2.2K citations

Phthalocyanines and related compounds:organic targets for nonlinear optical applications

Gema de la Torre, Purificación Vázquez, F. Agulló‐López et al. · Journal of Materials Chemistry · 1998 · 580 citations

Natural Sciences, Chemistry, Physics +17

Michael C. Zerner, Martin Gouterman · Theoretical Chemistry Accounts · 1966 · 463 citations