Concepedia

Solvent effects on blue shifted improper hydrogen bond of C–H⋯O in deoxycytidine isomers

Lalitha Selvam, Fangfang Chen, Feng Wang

Chemical Physics Letters · 2010 · 17 citations · 40 references

DOI

Concepts

References

40

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Maurizio Cossi, Vincenzo Barone, Roberto Cammi et al. · Chemical Physics Letters · 1996 · 3.4K citations

, , +17

Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density

Uwe Koch, Paul L. A. Popelier · The Journal of Physical Chemistry · 1995 · 3.1K citations

, , +12