Dynamicin


T. W. Root and T. M. Duncan, J. Cataly., 102, 109 (1986).  [c.327]

D. Duncan, D. Li, J. Gaydos, and A. W. Neumann, J. Colloid Interface Sci, 169, 256 (1995).  [c.385]

T. L. Calvert, R. J. Phillips, and S. R. Dungan, AIChE J 40, 1449 (1994).  [c.496]

D. J. McClements and S. R. Dungan, Colloids Surfaces, A 104, 127 (1995).  [c.496]

T. W. Root and T. M. Duncan, Chem. Phys. Lett., 137, 57 (1987).  [c.746]

T. W. Root and T. M. Duncan, J. Catal., 101, 527 (1986).  [c.746]

Physically, why does a temi like the Darling-Dennison couplmg arise We have said that the spectroscopic Hamiltonian is an abstract representation of the more concrete, physical Hamiltonian fomied by letting the nuclei in the molecule move with specified initial conditions of displacement and momentum on the PES, with a given total kinetic plus potential energy. This is the sense in which the spectroscopic Hamiltonian is an effective Hamiltonian, in the nomenclature used above. The concrete Hamiltonian that it mimics is expressed in temis of particle momenta and displacements, in the representation given by the nomial coordinates. Then, in general, it may contain temis proportional to all the powers of the products of the  [c.65]

A 1.2.10 SPECTRAL PATTERN OF THE DARLING-DENNISON HAMILTONIAN  [c.67]

Darling B T and Dennison D M 1940 Phys. Rev. 57 128  [c.82]

Frumkin A N, Petrii O A and Damaskin B B 1980 Comprehensive Treatise of Electrochemistry ed J O M Bockris, B E Conway and E Yeager (New York Plenum)  [c.609]

Duncan M A, Bierbaum V M, Ellison G B and Leone S R 1983 Laser-induced fluorescence studies of ion collisional excitation in a drift field rotational excitation of N in He J. Chem. Phys. 79 5448-56  [c.822]

Adams N G, Bohme D K, Dunkin D B and Fehsenfeld F C 1970 Temperature dependence of the rate coefficients for the reactions of Ar with O, FI2, and D2 J. Chem. Phys. 52 1951  [c.825]

Duncan ABF 1971 Rydberg Series in Atoms and Molecules (New York Academic)  [c.1148]

Boyde A 1970 Practicai probiems and methods in the three-dimensionai anaiysis of SEM images Scanning Electron Microsc. 105 112  [c.1652]

Dietz T G, Duncan M A, Powers D E and Smalley R E 1981 Laser production of supersonic metal cluster beams J. Chem. Rhys. 74 6511-12  [c.2086]

Dietz T G, Duncan M A, Powers D E and Smalley R E 1981 Laser production of supersonic metal cluster beams J. Chem. Phys. 74 6511  [c.2401]

Direct three-dimensionai (or volumetric) imaging have been performed e.g. by Sire et al. [7]. In their work the whole specimen is insonified by a cone beam and reconstructed directly. In the present work the three-dimensional information was obtained by constructing two-dimensional reflection tomograms and stacking these in multiple continues planes in the third dimension, as indicated in Fig. 4. This approach needs less processing time and data storage than for direct reconstruction. Therefore, the stacking technique has been adopted for this NDE study. Once the data are mapped into a volumetric matrix composed of cubic voxels it can be numerically dissected in any plane. Fig. 4 also shows the six discontinuity types, i.e., (a)-(f) in an increasing axial distance from the edge of the 50 mm long cylinder.  [c.204]

The raising and lowering operators originated in the algebraic theory of the quantum mechanical oscillator, essentially by the path followed by Heisenberg in fomuilating quantum mechanics [33]. In temis of raising and lowering operators, the Darling-Deimison coupling operator is  [c.65]

Dennison coupling produces a pattern in the spectrum that is very distinctly different from the pattern of a pure nonnal modes Hamiltonian , without coupling, such as (Al.2,7 ). Then, when we look at the classical Hamiltonian corresponding to the Darling-Deimison quantum fitting Hamiltonian, we will subject it to the mathematical tool of bifiircation analysis [M]- From this, we will infer a dramatic birth in bifiircations of new natural motions of the molecule, i.e. local modes. This will be directly coimected with the distinctive quantum spectral pattern of the polyads. Some aspects of the pattern can be accounted for by the classical bifiircation analysis while others give evidence of intrinsically non-classical effects in the quantum dynamics.  [c.67]

In the example of H2O, we saw that the Darling-Dennison coupling between the stretches led to a profound change in the internal dynamics the birth of local modes in a bifiircation from one of the original low-energy nonnal modes. The question arises of the possibility of other types of couplings, if not between two identical stretch modes, then between other kinds of modes. We have seen that, effectively, only a very small subset of possible resonance couplmgs between  [c.70]

The Darling-Dennison Hamiltonian displayed a striking energy level pattern associated with the bifiircation to local modes approximately degenerate local mode doublets, split by dynamical tiumelling. In general Fenni resonance systems, the spectral hallmarks of bifurcations are not nearly as obvious. However, subtle, but clearly observable spectral markers of bifiircations do exist. For example, associated with the fonnation of resonant collective modes in the 2 1 Fenni system there is a pattern of a minimum in the spacing of adjacent energy levels within a poly ad [ ], as illustrated in figure Al.2.12. This pattern has been invoked [, in the analysis of isomerization spectra of the molecule HCP, which will be discussed later. Other types of bifiircations have their own distinct, characteristic spectral patterns for example, in 2 1 Fenni systems a second type of bifiircation has a pattern of alternating level spacmgs, of a fan or a zigzag , which was predicted in [ ] and subsequently s [57].  [c.71]

We have seen that resonance couplings destroy quantum numbers as constants of the spectroscopic Hamiltonian. Widi both the Darling-Deimison stretch coupling and the Femii stretch-bend coupling in H2O, the individual quantum numbers and were destroyed, leaving the total polyad number n + +  [c.73]

Ferguson E E, Fehsenfeld F C, Dunkin D B, Schmeltekopf A L and Schiff FI I 1964 Laboratory studies of helium ion loss processes of interest in the ionosphere Planet Space Scl. 12 1169-71  [c.825]

Martin G E and Zekster A S 1988 Two-dimensionai NMR Methods for Estabiishing Moiecuiar Connectivity (Weinheim VCH) Contains a wealth of practical experience.  [c.1465]

Johnson G, Hutchison J M S, Redpath T W and Eastwood L M 1983 improvements in performance time for simuitaneous three-dimensionai NMR imaging J. Magn. Reson. 54 374-84  [c.1544]

Keil and co-workers (Dhamiasena et al [16]) have combined the crossed-beam teclmique with a state-selective detection teclmique to measure the angular distribution of HF products, in specific vibration-rotation states, from the F + Fl2 reaction. Individual states are detected by vibrational excitation with an infrared laser and detection of the deposited energy with a bolometer [30].  [c.2070]

With spectroscopic detection of the products, the angular distribution of the products is usually not measured. In principle, spectroscopic detection of the products can be incorporated into a crossed-beam scattering experiment of the type described in section B2.3.2. There have been relatively few examples of such studies because of the great demands on detection sensitivity. The recent work of Keil and co-workers (Dhannasena et al [16]) on the F + H2 reaction, mentioned in section B2.3.3, is an excellent example of the implementation  [c.2080]


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Computational biochemistry and biophysics (2001) -- [ c.446 ]