Concepedia

A conformational study of ethyl-substituted bithiophenes. Semi-empirical versus ab initio methods

Nicolas Di Césare, Michel Belletête, Mario Leclerc, Gilles Durocher

Synthetic Metals · 1998 · 32 citations · 42 references

DOI

Concepts

References

42

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

, , +10

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +4

Optimization of parameters for semiempirical methods II. Applications

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 3.7K citations

, , +9

Highly conducting polyparaphenylene, polypyrrole, and polythiophene chains: An<i>ab initio</i>study of the geometry and electronic-structure modifications upon doping

Jean‐Luc Brédas, B. Thémans, J. G. Fripiat et al. · Physical review. B, Condensed matter · 1984 · 722 citations

, , +17

X-ray structural studies of poly(3-alkylthiophenes): an example of an inverse comb

Ty J. Prosa, M. J. Winokur, Jeff Moulton et al. · Macromolecules · 1992 · 691 citations

, , +15