Concepedia

Ab initio calculation of potential energy surface and geometric structure of the LiBH4 non-rigid complex molecule

Alexander I. Boldyrev, N. G. Rambidi, V. I. Avdeev

Chemical Physics Letters · 1976 · 39 citations · 14 references

DOI

Concepts

References

14

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

, , +15

Gaussian basis sets for the first and second row atoms

B. Roos, Per E. M. Siegbahn · Theoretical Chemistry Accounts · 1970 · 497 citations

, , +13

Potential energy surface for the model unimolecular reaction HNC → HCN

Peter K. Pearson, Henry F. Schaefer, Ulf Wahlgren · The Journal of Chemical Physics · 1975 · 184 citations · Full text

, , +16

Study of the electronic structure of molecules. XVIII. Interaction between a lithium atom and a cyano group as an example of a polytopic bond

E. Clementi, H. Kistenmacher, Herbert E. Popkie · The Journal of Chemical Physics · 1973 · 107 citations

, , +17

Methane as a Numerical Experiment for Polarization Basis Function Selection

Stephen J. Rothenberg, Henry F. Schaefer · The Journal of Chemical Physics · 1971 · 79 citations

, , +11