Concepedia

Molecular structure and conformation of nitrobenzene reinvestigated by combined analysis of gas-phase electron diffraction, rotational constants, and theoretical calculations

Olga V. Dorofeeva, Yuriy V. Vishnevskiy, N. Vogt, J. Vogt, L. V. Khristenko, Sergey V. Krasnoshchekov, Igor F. Shishkov, István Hargittai, L. V. Vilkov

Structural Chemistry · 2007 · 33 citations · 20 references

DOI

Concepts

References

20

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

, , +11

J. Mol. Struct. (Theochem)

Ranbir Singh, Bimalendu Deb · Journal of Molecular Structure THEOCHEM · 1996 · 1.8K citations

, , +2

The Vibration-Rotation Energies of Molecules

Harald H. Nielsen · Reviews of Modern Physics · 1951 · 1.2K citations

, , +12

Molecular Vibrational—Rotational Spectra

W.J.O.-T. · Journal of Molecular Structure · 1983 · 518 citations

Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets

Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari et al. · The Journal of Chemical Physics · 2001 · 512 citations

, , +10