Concepedia

Experimental and theoretical study of the circular dichroism spectra of oxa- and thia- [2.2] metacyclophane

Stefan Grimme, Sigrid D. Peyerimhoff, Stefan Bartram, Fritz Vögtle, A. Breest, J. Hormes

Chemical Physics Letters · 1993 · 47 citations · 19 references

DOI

Concepts

References

19

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

A fast intrinsic localization procedure applicable for <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> and semiempirical linear combination of atomic orbital wave functions

Jānos Pipek, Paul G. Mezey · The Journal of Chemical Physics · 1989 · 1.8K citations

, , +13

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

, , +13

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1974 · 1.3K citations

, , +4

Energy extrapolation in CI calculations

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1975 · 1K citations

, , +3