Concepedia

Anharmonic analysis of CH and OH stretching vibrations of the formic acid dimer

G. А. Pitsevich, А. E. Malevich, Е.N. Kozlovskaya, I. Doroshenko, Valdas Šablinskas, V. Pogorelov, D. Dovgal, Vytautas Balevičius

Vibrational Spectroscopy · 2015 · 23 citations · 50 references

DOI

Concepts

References

50

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

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

, , +17

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Raman spectroscopy: Recent advancements, techniques and applications

Ruchita S. Das, Y. K. Agrawal · Vibrational Spectroscopy · 2011 · 743 citations

, , +14