Ab initio and RRKM calculations of o-benzyne pyrolysis

[1]  Weiqiao Deng,et al.  Theoretical studies of the decyclization /cyclization of the C6H5 radical , 1997 .

[2]  J. Troe,et al.  Trajectory simulations of collisional energy transfer in highly excited benzene and hexafluorobenzene , 1995 .

[3]  M. Frenklach,et al.  Calculations of rate coefficients for the chemically activated reactions of acetylene with vinylic and aromatic radicals , 1994 .

[4]  Michael Frenklach,et al.  Enthalpies of Formation of Benzenoid Aromatic Molecules and Radicals , 1993 .

[5]  Frances H. Arnold,et al.  Template-mediated synthesis of metal-complexing polymers for molecular recognition , 1991 .

[6]  Sean C. Smith,et al.  Theory of Unimolecular and Recombination Reactions , 1990 .

[7]  R. Parr.  Density-functional theory of atoms and molecules , 1989 .

[8]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[9]  G. B. Skinner,et al.  Formation of hydrogen and deuterium atoms in pyrolysis of benzene-d6, chlorobenzene, bromobenzene, and iodobenzene behind shock waves , 1988 .

[10]  G. B. Skinner,et al.  Formation of deuterium and hydrogen atoms in the pyrolysis of benzene-d6 and chlorobenzene behind shock waves , 1984 .

[11]  G. Guelachvili,et al.  High-resolution Fourier studies of diacetylene in the regions of the ν4 and ν5 fundamentals , 1984 .

[12]  Takehiko Shimanouchi,et al.  Tables of molecular vibrational frequencies. Consolidated volume II , 1972 .