Concepedia

Computation of the complexation energies of BH3NH3 and BH3PH3

Reinhart Ahlrichs, W. Koch

Chemical Physics Letters · 1978 · 24 citations · 15 references

DOI

Concepts

References

15

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

Wilfried Meyer · The Journal of Chemical Physics · 1973 · 1K citations

, , +17

VIBRATION–ROTATION BANDS OF AMMONIA: II. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA

W. S. Benedict, Earle K. Plyler · Canadian Journal of Physics · 1957 · 382 citations

, , +17

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

Reinhart Ahlrichs, Hans Lischka, Volker Staemmler et al. · The Journal of Chemical Physics · 1975 · 321 citations

, , +17

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

Reinhart Ahlrichs, Frank Driessler, Hans Lischka et al. · The Journal of Chemical Physics · 1975 · 286 citations

, , +17

Molecular orbital theory of the electron structure of organic compounds. XXIV. Geometries and energies of small boron compounds. Comparisons with carbocations

James D. Dill, Paul von Ragué Schleyer, J. A. Pople · Journal of the American Chemical Society · 1975 · 207 citations

, , +11