SEARCH Articles Figures Tables Autocorrelation function vibrational modes, hydrogen-bonded systems B3-LYP exchange-correlation functional in determination of vibrational spectra Classical autocorrelation function, vibrational Correlation functions rotational-vibrational Correlation functions vibrational coordinate Density Functional Theory vibrational spectroscopy Density function theory vibrational spectra Density functional theory , vibrational Density functional theory vibrational circular dichroism Density functional theory vibrational frequency convergence Excitation function vibrational Harmonic-oscillator function, hydrogen bonds bond vibrations Irreducible representations vibrational wave function Molecular Vibrational Partition Function Molecular partition functions vibration Natural orbital function vibrational frequencies Nonlinear molecules vibrational wave function Nuclear dynamics vibrational wave function Nuclear vibrational wave function Partition function vibration Partition function vibrational Partition function vibrational motion Permutational symmetry vibrational wave function Proton vibrational wave function Relationships between potential functions and the vibration-rotation levels Response function vibrations Rotation-vibration wave functions, electric Rotor-vibrator function Statistical mechanics vibrational partition function Symmetric properties vibrational wave function Vibration rotational wave function Vibrational Helmholtz function Vibrational correlation function Vibrational distribution functions Vibrational dynamics autocorrelation function Vibrational dynamics autocorrelation function, corresponding Vibrational partition function, calculation Vibrational potential functions with more than one minimum Vibrational probability function Vibrational spectra thermodynamic function Vibrational spectroscopy chemical functional groups Vibrational spectroscopy function Vibrational wave function Vibrational wave function degenerate Vibrational wave function functions) Vibrational wave function interaction with rotation Vibrational wave function models Vibrational wave function modes, determination Vibrational wave function molecules Vibrational wave function normal Vibrational wave function overlap Vibrational wave function, permutational Vibrational wave functions anharmonic potential Vibrational-rotational partition functions Vibrational-rotational partition functions applications Vibrational-rotational partition functions atom + diatom Vibrations partition function for Wave function, electronic vibrational Wave function, vibrational-rotational Wave functions, atomic vibrational