Concepedia

Frequencies and absorption intensities of fundamentals and overtones of NH stretching vibrations of pyrrole and pyrrole–pyridine complex studied by near-infrared/infrared spectroscopy and density-functional-theory calculations

Yoshisuke Futami, Yasushi Ozaki, Yasushi Ozaki, Yoshiaki Hamada, Marek J. Wójcik, Yukihiro Ozaki, Yukihiro Ozaki

Chemical Physics Letters · 2009 · 45 citations · 15 references

DOIFull text

Open access

Concepts

References

15

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

New numerical methods applied to solving the one-dimensional eigenvalue problem

Bruce R. Johnson · The Journal of Chemical Physics · 1977 · 613 citations

, , +12

Calculation of OH-stretching band intensities of the water dimer and trimer

Geoffrey R. Low, Henrik G. Kjaergaard · The Journal of Chemical Physics · 1999 · 169 citations

, , +17

Nature of the Hydrogen Bond. III. The Measurement of the Infrared Absorption Intensities of Free and Hydrogen-Bonded OH Bands. Theory of the Increase of the Intensity Due to the Hydrogen Bond

Hiroshi Tsubomura · The Journal of Chemical Physics · 1956 · 119 citations

, , +17