Concepedia

Structure and binding energy of the phenol dimer: correlated ab initio calculations compared with results from rotational coherence spectroscopy

Pavel Hobza, Christoph Riehn, Andreas Weichert, Bernhard Brutschy

Chemical Physics · 2002 · 48 citations · 19 references

DOI

Concepts

References

19

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

, , +9

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, George Fitzgerald, Andrew Komornicki · Chemical Physics Letters · 1993 · 1.3K citations

, , +12

Ab Initio Calculation of Nonbonded Interactions:  Are We There Yet?

Anthony K. Rappé, E. R. Bernstein · The Journal of Physical Chemistry A · 2000 · 340 citations

, , +15

Rotational coherence spectroscopy: studies of the geometries of large gas-phase species by picosecond time-domain methods

Péter Felker · The Journal of Physical Chemistry · 1992 · 258 citations

, , +10