Concepedia

Efficient determination and characterization of transition states using ab-initio methods

Andrew Komornicki, Kazuhiro Ishida, Keiji Morokuma, R. Ditchfield, Morgan P. Conrad

Chemical Physics Letters · 1977 · 254 citations · 32 references

DOI

Concepts

References

32

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

, , +15

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14

A Rapidly Convergent Descent Method for Minimization

R. Fletcher, M. J. D. Powell · The Computer Journal · 1963 · 4.6K citations · Full text

, , +11

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

, , +17

Forces in Molecules

Richard P. Feynman · Physical Review · 1939 · 3.8K citations · Full text

, , +15