Concepedia

Carbohydrate–aromatic interactions: A computational and IR spectroscopic investigation of the complex, methyl α-l-fucopyranoside · toluene, isolated in the gas phase

Zheng Su, Emilio J. Cocinero, E. Cristina Stanca‐Kaposta, Benjamin G. Davis, John P. Simons

Chemical Physics Letters · 2009 · 49 citations · 21 references

DOI

Concepts

References

21

Accurate description of van der Waals complexes by density functional theory including empirical corrections

Stefan Grimme · Journal of Computational Chemistry · 2004 · 5.2K citations

, , +17

Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

F. MOHAMADI, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry · 1990 · 3.8K citations

, , +13

An Evaluation of Harmonic Vibrational Frequency Scale Factors

Jeffrey Merrick, Damian Moran, Leo Radom · The Journal of Physical Chemistry A · 2007 · 2.7K citations

, , +17

CH/? hydrogen bonds in crystals

Motohiro Nishio · CrystEngComm · 2004 · 1.4K citations

, , +17

Density Functionals for Noncovalent Interaction Energies of Biological Importance

Yan Zhao, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2006 · 597 citations

, , +15