Concepedia

Semiempirical and ab initio study of closed and open shell derivatives of 10-methylisoalloxazine: a model of flavin redox states

Michael Meyer, H. Hartwig, Dietmar Schomburg

Journal of Molecular Structure THEOCHEM · 1996 · 24 citations · 22 references

DOI

Concepts

References

22

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

, , +14

Optimization of parameters for semiempirical methods I. Method

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

, , +4

An algorithm for the location of transition states

Jon Baker · Journal of Computational Chemistry · 1986 · 1.5K citations

, , +15