Concepedia

A full-dimension intra- and inter-molecular ab initio potential energy surface and predicted infrared spectra for H2O-He

Dan Hou, Yong-Tao Ma, Xiaolong Zhang, Hui Li

Journal of Molecular Spectroscopy · 2016 · 20 citations · 66 references

DOI

Concepts

References

66

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

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 9.5K citations

, , +14

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari, Gary W. Trucks, John A. Pople et al. · Chemical Physics Letters · 1989 · 8.5K citations

, , +12

A novel discrete variable representation for quantum mechanical reactive scattering via the <i>S</i>-matrix Kohn method

Daniel T. Colbert, William H. Miller · The Journal of Chemical Physics · 1992 · 1.8K citations

, , +15

The Ame2012 atomic mass evaluation

M. Wang, G. Audi, A.H. Wapstra et al. · Chinese Physics C · 2012 · 1.7K citations

, , +16