Concepedia

MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

Jiřı́ Šponer, Pavel Hobza

Chemical Physics Letters · 1997 · 162 citations · 31 references

DOI

Concepts

References

31

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

Potential Energy Surface for the Benzene Dimer. Results of <i>ab Initio</i> CCSD(T) Calculations Show Two Nearly Isoenergetic Structures:  T-Shaped and Parallel-Displaced

Pavel Hobza, H. L. Selzle, Edward W. Schlag · The Journal of Physical Chemistry · 1996 · 590 citations

, , +15

Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

Pavel Hobza, H. L. Selzle, Edward W. Schlag · Journal of the American Chemical Society · 1994 · 428 citations

, , +16

Nature of Nucleic Acid−Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs

Jerzy Leszczyński, Pavel Hobza · The Journal of Physical Chemistry · 1996 · 400 citations

, , +17