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Theoretical Basis for Interpretation of the Spectra
Summary of Results with Examples
6 other sections not shown
1,3-cyclohexadiene angle anharmonic approximate atoms barrier to planarity bending Carreira centrifugal distortion Chem conformation considered constraint vectors corresponding cross terms cyclobutane cyclopentanone cyclopentene defined dependence derivatives diagonal Double minimum potential Durig Eckart conditions effective potential effective rotational constants eigenvalues equation equilibrium configuration evaluated far-infrared frequency Gwinn Hamiltonian harmonic oscillator inflection points infrared spectrum interaction internal coordinates inversion isotopic isotopic species kinetic energy Laane large-amplitude modes levels linear Lord Malloy matrix elements mid infrared minimum potential function molecular nonrigid molecules normal coordinates obtained oxetanone-3 parameters perturbation Phys potential energy Potential function determined pseudorotation Q-branch quantum mechanical quantum number quartic term Raman spectrum rectilinear coordinates reduced mass relation Reproduced rigid molecules rigid rotor ring molecules ring puckering ring-puckering vibration rotational constants s-vectors Sect semirigid rotor single minimum small amplitude species studied spectra Spectroscopy symmetric Table tetrahydrofuran tonian treatment trimethylene oxide values variation vibration-rotation vibrational coordinates