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[en] Full vibrational spectra and dissociation energies are studied for the 0u-, B''Iu states of I2, X 1Σg+ of Br2 and A'3Π(2u) of Cl2. The full vibrational spectra were computed using a standard algebraic method (AM) with available experimental vibrational energies as input parameters. The dissociation energies were estimated using an analytical formula and the three highest AM vibrational energies. Prior to the present work, reliable high-lying vibrational energies and dissociation energies of these states were difficult to obtain experimentally and theoretically.
[en] Highlights: • Elastic properties of vanadate and V2O5-contained glasses were predicted. • Prediction has been carried out on the basis of Makishima–Mackenzie's theory. • Correlation between elastic moduli and compositional parameters was studied. • Dissociation energy was evaluated in terms of V–O and P–O single bond strength. • Good agreement between theoretical and experimental elastic moduli was achieved.
[en] It is shown that energy must be conserved by the dissociation of an elementary particle. The energy deficit by a dissociation behaves as a basic concept. The binding energy of the deuteron is reproduced. 4 refs
[en] Second electron affinities of AuN and AgN clusters and the dissociation energies for fission of the AuN2- and AgN2- dianions are calculated using the finite-temperature shell-correction method and allowing for triaxial deformations. Dianionic clusters with N>2 are found to be energetically stable against fission, leaving electron autodetachment as the dominant decay process. The second electron affinities exhibit pronounced shell effects in excellent agreement with measured abundance spectra for AuN2- (N<30), with appearance sizes na2-(Au)=12 and na2-(Ag)=24. (c) 2000 The American Physical Society
[en] The RKRV potential energy curves for the observed electronic states of gaseous monochlorides of beryllium, magnesium and calcium have been constructed using the method of Y B Rao and P Venkateswarlu (1962). The ground state dissociation energy of these molecules has been evaluated by curve fitting technique. (author)
[en] The calculation results of dissociation energies of biatomic molecules, formed with p-elements of groups 3 and 4 with p-elements of groups 6 and 7 of the periodic system according to hyperbola method are presented. The hyperbolic dependence of bond rupture energies of similar compounds of element isostructural atoms on the charges of their nuclei makes these values interconnected and creates a possibility for their forecasting. The dissociation energies of the molecules of GaS, GaSe, B(Al, Ca, In, Tl)-Po, B(Al, Ga, In, Te)- At, CTe, C(Si, Ge, Sn, Pb)-Po and C(Si, Ge, Sn, Pb)-At as well as Te-E1 (E=O, S, Se, Te, Po) have been given for the first time
[en] The authors have used laser cooling and trapping techniques to investigate photoionization and cold collisions. With laser-trapped Rb, they have measured the photoionization cross section from the first excited (5P) level by observing the photoionization-induced loss rate of neutral atoms from the trap. This technique has the advantage that it directly measures the photoionization rate per atom. Knowing the ionizing laser intensity and the excited-state fraction, the measured loss rate gives the absolute cross section. Using this technique, the Rb 5P photoionization cross section at ∼400 nm has been determined with an uncertainty of 9%. The authors are currently attempting to extend this method to the 5D level. Using time-ordered pulses of diode-laser light (similar to the STIRAP technique), they have performed very efficient two-photon excitation of trapped Rb atoms to 5D. Finally, they will present results from a recent collaboration which combines measurements form conventional molecular spectroscopy (single photon and double resonance) with photoassociation collisions of ultracold Na atoms to yield a precise (≤1 ppm) value for the dissociation energy of the X Σg+ ground state of the Na2 molecule
[en] Diagonal corrections for nuclear motion have been calculated for the equilibrium internuclear separation in the a3Σ+sub(g) state of the hydrogen molecule. Thier new value is by 2.133 cm-1 smaller than the previous less accurate result. If this correction is applied to the theoretical value of the dissociation energy it removes the existing small discrepancy with the experimental result. (Auth.)
[en] Highlights: • Low-lying electronic states of the AlC and GaC molecules. • Transition probabilities and radiative lifetime. • Molecular constants. The electronic states correlated to the first dissociation channel, around 25,500 cm−1, of the AlC and GaC molecules have been investigated by CASSCF/MRCI methodology with aug-cc-pV5Z basis set. Our work focused on the accurate description of the potential energy curves, dissociation energies, transition moment functions, radiative lifetimes, dipole moments and molecular constants. The B4Σ− electronic state has been previously detected for AlC molecule and it is probably not detectable in GaC molecule due to the predissociative character which affects all its vibrational levels. The characterization of the GaC low-lying electronic states were carried out for the first time.