Ab initio anharmonic intermolecular potential of the C2H2-HCl hydrogen bonded complex

[1]  T. Dunning,et al.  A Road Map for the Calculation of Molecular Binding Energies , 2000 .

[2]  P. Millié,et al.  Infrared spectra of the C2H2–HCl complexes: An experimental and ab initio study , 2000 .

[3]  P. Jankowski,et al.  On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar–HF from two- and three-dimensional potentials , 2000 .

[4]  L. Oudejans,et al.  State-to-State Vibrational Predissociation Dynamics of the Acetylene−HCl Complex , 1999 .

[5]  G. Bacskay.  Hydrogen bonded complexes of HCl with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3 , 1992 .

[6]  D. Dayton,et al.  Spectroscopic evidence for near-resonant intermolecular energy transfer in the vibrational predissociation of acetylene-HX and acetylene-DX (X = Cl, Br and I) complexes , 1991 .

[7]  N. Hush,et al.  Quantum chemical study of the HCl molecule and its binary complexes with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3: Hydrogen bonding and its effect on the 35Cl nuclear quadrupole coupling constant , 1990 .

[8]  A. Hinchliffe,et al.  Ab initio calculations of electric field gradient for the B…HCl dimers: B=CO, HCN, H2O, H2S, C2H2, C2H4, NH3, PH3 and CH3CN , 1989 .

[9]  M. Frisch,et al.  Hydrogen bonds between hydrogen halides and unsaturated hydrocarbons , 1982 .

[10]  A. Hinchliffe.  An ab initio SCF MO study of the molecular structure and properties of the hydrogen-bonded dimers of ethyne and ethene with HF and HCl , 1982 .

[11]  W. Flygare,et al.  The rotational spectrum and molecular structure of the acetylene–HCl dimer , 1981 .

[12]  J. Jortner,et al.  Model for vibrational predissociation of van der Waals molecules , 1977 .

[13]  S. F. Boys,et al.  The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .

[14]  T. A. Wiggins,et al.  Molecular constants of HCl35 , 1965 .