Concepedia

The vibrational spectra of vinylphosphine revisited: Infrared and theoretical studies from CCSD(T) and DFT anharmonic potential

Didier Bégué, Abdessamad Bénidar, Claude Pouchan

Chemical Physics Letters · 2006 · 44 citations · 25 references

DOI

Concepts

References

25

Anharmonic vibrational properties by a fully automated second-order perturbative approach

Vincenzo Barone · The Journal of Chemical Physics · 2004 · 1.6K citations

, , +14

The anharmonic force field of ethylene, C2H4, by means of accurate <i>ab initio</i> calculations

Jan M. L. Martin, Timothy J. Lee, Peter R. Taylor et al. · The Journal of Chemical Physics · 1995 · 430 citations

, , +17

Vibrational coupled cluster theory

Ove Christiansen · The Journal of Chemical Physics · 2004 · 328 citations

, , +17

Calculations of Vibrational Energy Levels by Using a Hybrid ab Initio and DFT Quartic Force Field:  Application to Acetonitrile

Didier Bégué, Philippe Carbonnière, Claude Pouchan · The Journal of Physical Chemistry A · 2005 · 150 citations

, , +17

How to choose one-dimensional basis functions so that a very efficient multidimensional basis may be extracted from a direct product of the one-dimensional functions: Energy levels of coupled systems with as many as 16 coordinates

Richard Dawes, Tucker Carrington · The Journal of Chemical Physics · 2005 · 80 citations

, , +14