Showing papers in "Chemical Physics in 1978"

TL;DR: In this article, an analytical procedure for the exact computation of many matrix elements for the bound states of the Morse oscillator is presented, and model calculations are given for the local modes model of the CH stretch in aromatic hydrocarbons.

TL;DR: In this paper, laser-induced holes in the inhomogeneously broadened absorption spectra of aromatic hydrocarbons in frozen glasses are shown to be of non-photochemical origin and a mechanism for excited state site interconversion based on a metastable distribution of sites in asymmetric double well potentials is presented.

TL;DR: The theory of diffusion-controlled association is used to determine the time development of the corresponding dissociation process as discussed by the authors, and the departure from a pure exponential decay will influence the entire time course, and not just the initial transient as in the case of an association process.

TL;DR: In this article, a theoretical model is presented which shows that a van der Waals molecule containing a vibrationally excited chemically bonded molecule can often undergo efficient vibrational predissociation.

TL;DR: In this article, the magic angle dipole (e, 2e) method was used to obtain the branching ratios and the partial oscillator strength for photoionization of the valence orbitals of N2O and CO2.

TL;DR: In this paper, the absorbed energy in a depolarized Rayleigh-wing scattering experiment is constructed from the measured intensity and compared with the far-infrared energy in the experiment.

TL;DR: In this paper, a high power ArF pulsed excimer laser is used to photolyze a high energy fragment with high energy at 193 nm, which can be used as reactants in kinetic studies.

TL;DR: In this paper, a detailed analysis of the primary photodissociation products resulting from the 266 nm laser photolysis of HN 3 is reported, where the major primary fragments are N 2 ( 1 Σ g + ) and NH( 1 Δ).

TL;DR: The rotational sudden approximation has been applied to Li+-H2 scattering at 5.54 and 8.8 eV, respectively, for which few experimental data are available as discussed by the authors.

TL;DR: In this paper, the absorption bands of small molecules containing up to six atoms are clearly identified, allowing the remaining bands to be assigned mainly to larger molecules using the matrix isolation technique.

TL;DR: The chemiluminescence depletion (CD) method has been used to measure relative rate constants k (J ), i.e. rate of reaction as a function of the r

TL;DR: In this article, the Bethe theory has been applied to the light emission following electron impact excitation of CF 4, CF 3 H, CF 3 Cl, CF 2 Cl 2 and CFCl 3.

TL;DR: In this article, anisotropic susceptibility of organic molecules with magnetic field alignment has been studied and shown to induce line splittings in high-resolution NMR spectra, proportional to the square of the magnetic field.

TL;DR: Theoretical calculations show that rotational coupling, Fermi resonance, Coriolis coupling, and resonance energy transfer can strongly effect the vibrational population lifetime as discussed by the authors, and the relevance of these processes is quite different for the various molecules investigated.

TL;DR: In this article, the high intensity ππ* 1 Σ + transitions have been identified, and the results have made possible new interpretations of a number of Rydberg transitions.

TL;DR: In this paper, the velocity distribution parallel and perpendicular to the molecular beam axis has been determined for molecules in well defined quantum states using TOF via optical pumping and the Doppler shift method.

TL;DR: In this article, the infrared spectra of CO 2 trapped in solid rare gas matrices (Ar,Kr,Xe) have been studied and it has been shown that dimers are formed in the matrices.

TL;DR: In this paper, the authors measured dielectric permittivity in an electric field (NDE) measured for two solutions in the single-phase precritical region and for the isotropic phase of MBBA above the clearing temperature T c.

TL;DR: In this article, a semi-empirical method for calculating potential energy surfaces of triatomic molecules, requiring knowledge of only ground state potentials of diatomic molecules has been developed.

TL;DR: In this article, the authors proposed a joint vibro-electronic mechanism (JVE) for H 2 dissociation in electrical discharges, where the electrons of the discharge create a strong vibrational disequilibrium with respect to the gas temperature (T g ) and promote electronic transitions from all vibrational levels of 1 Σ g H 2 state to the repulsive 3 Σ u one.

TL;DR: In this article, a semi-empirical approximation for the exchange energy (E x ), coupled with a tractable representation of the Coulomb energy ( E C ), has been found to yield very accurate results for the isotropic part of the interaction energy between two closed shell systems.

TL;DR: In this paper, the rotational degree of freedom of the proton-proton H 2 collisions is treated by making the sudden approximation for the rotation degree and retaining a full quantum mechanical close-coupling description of the vibrational excitations.

TL;DR: In this article, a survey of the dissociative attachment processes in the compounds studied is given, and a new assignment for the optical spectrum of CF 3 Cl has been suggested.

TL;DR: In this paper, the authors present a method for deconvolution of the fluorescence curves with respect to the excitation function and is not restricted to the case of δ-pulse responses represented by a sum of exponential terms.

TL;DR: In this paper, a reinterpretation of the method outlined in the two first parts of this series for the calculation of van der Waals constants in terms of asymptotic natural states is related to the one-term approximation of oscillator strength sums S l ( itn ) and dynamic polarizabilities α l (ω).

TL;DR: In this article, an analysis of the spectra of Cusal 2 is presented yielding g tensor, the hyperfine interaction tensors of 63 Cu, 14 N and four protons and the quadrupole tensor of 14 N, as well as the orientation of the principal axes systems of these quantities.

TL;DR: In this article, a new crystal state (Y-state) which is populated independently of the high temperature excimer (E-state), called Y-state, is introduced.

TL;DR: In this paper, a semiclassical method for energy transfer in polyatomic molecules is suggested based on a partial quantization of the vibrational degrees of freedom, which is treated classically.

TL;DR: In this article, the results of measurements of the photoelectron angular distributions of benzene, fluorobenzene, chlorobenzenes, bromobenzeni, and iodobenzenene are presented.

TL;DR: The MCD spectra of pyrrole, furan, thiophene, selenophene and teburophene and some of their derivatives are reported and the corresponding energies, oscillator strengths, transition moment directions, and MCD terms are calculated from semi-empirical quantum mechanical calculations as mentioned in this paper.