Concepedia

MINDO-Forces calculation of molecular geometries and reaction paths

Salim M. Khalil, Muthana Shanshal

Theoretical Chemistry Accounts · 1977 · 10 citations · 30 references

DOI

Concepts

References

30

A Simplex Method for Function Minimization

J. A. Nelder, R. Mead · The Computer Journal · 1965 · 28.9K citations

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Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane

Kenneth B. Wiberg · Tetrahedron · 1968 · 4.4K citations

, , +1

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1969 · 2.4K citations

, , +14

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

Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method

Richard C. Bingham, Michael J. S. Dewar, Donald H. Lo · Journal of the American Chemical Society · 1975 · 1.6K citations

, , +10