Normal Coordinates: General Theory, Redundant Coordinates, and General Analysis Using Electronic Computers

Keywords

Cartesian coordinate system, Bipolar coordinates, Log-polar coordinates, Orthogonal coordinates, Coordinate system

References

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Cited by

• Rationalising the vibrational spectra of biomolecules using atomistic simulations.David, M. Benoit — 2009
• ISOEFF98. A program for studies of isotope effects using Hessian modificationsVictor Anisimov, Piotr Paneth — 1999
• Die rotationsisomerie des bicyclopropyls: Mitteilung V. Elektronenbeugungs-untersuchung der struktur des trans- und des cis-tricyclo[5.1.0.02.4] octansSiegmar Braun, M. Trætteberg — 1977
• Structure and Energetics of β–Diketonates. XI. Molecular Structure of Sc(thd)3 from Gas–Phase Electron Diffraction DataN. V. Belova, N. I. Giricheva, G. V. Girichev — 2002
• Calculations of 19F NMR shieldings in polyfluoro-1-lithioethenes: Role of geometry, solvation and comparison with experimental shifts☆Jaroslav Kvı́čala, Jiřı́ Czernek, Stanislav Böhm — 2002
• Reaction-path dynamics with harmonic vibration frequencies in curvilinear internal coordinates: H+trans-N2H2→N2H+H 2Yao‐Yuan Chuang, Donald G. Truhlar — 1997
• Ab initio characterization of the C̃′1Ag state of the acetylene moleculeJacques Liévin — 1992
• Berechnung der Intensitäten von CH-Valenzschwingungen mit der CNDO/2 MethodeH.‐H. Perkampus, M. Klampfer, J. V. Knop — 1974
• Reaction mechanism of the direct gas phase synthesis of H(2)O(2) catalyzed by Au(3).Bosiljka Njegic, Mark S. Gordon — 2008
• Molecular structures of acetylene derivatives of tin: Part IV. Gas-phase electron-diffraction study of tetraethynyltin, Sn(CCH)4, and triethynyltin iodide, ISn(CCH)3L. S. Khaikin, Alexander V. Belyakov, L. V. Vilkov — 1980
• Structure and Energy Studies of β-Diketonates. X. Molecular Structure of Sc(aa)3 According to Gas-Phase Electron Diffraction DataN. V. Belova, N. I. Giricheva, G. V. Girichev — 2002
• Thermodynamic properties of linear carbon chain molecules with conjugated triple bondsOlga V. Dorofeeva, L. V. Gurvich — 1991
• Conformational analysis—IV: A lanthanide induced shift (LIS) NMR investigation of the conformation and relative conformer energies of trans and cis 2-decalone☆Raymond J. Abraham, Helen Bergen, Derek J. Chadwick — 1982
• Substituted propanes: Part XIV. The low frequency vibrations of 1,3-dichloro-, 1,3-dibromo-, 1,2,3-trichloro- and 1,2,3-tribromopropaneJ.E. Gustsvsen, P. Klæboe, Reidar Stølevik — 1978
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• Investigation of the structure and energetics ofΒ-diketonates. VII. Molecular structure of Ga(DPM)3 according to gas phase electron diffraction dataN. V. Belova, G. V. Girichev, N. I. Giricheva — 1999
• An electron diffraction study of the structure of the trimeric molecules of molybdenum pentafluorideG. V. Girichev, В. Н. Петрова, V. M. Petrov — 1983
• On the effect of molecular structure on the superposition of normal modes of vibrationLothar Schäfer — 1974
• An alternative expansion of the urey-bradley z matrix which is particularly well suited for computerized normal coordinate calculationsR. L. HILDERBRANDT — 1974
• Method for the determination of parametric potential energy surfaces by the direct inversion of inelastic scattering dataDavid C. Clary — 1985

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