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Molecule, iii

Brickstock, A., and Pople, J. A., Phil. Mag. 44, 697, The spatial correlation of electrons in atoms and molecules. III. The influence of spin and antisymmetry on the correlation of electrons/ A discussion is made of the refinement needed, if the interelectronic repulsion is taken into account beyond the single determinant, b. [Pg.334]

Clodius, W. B., and Quade, C. R. (1985), Internal Coordinate Formulation for the Vibration-Rotation Energies of Polyatomic Molecules. III. Tetrahedral and Octahedral Spherical Top Molecules, /. Chem. Phys. 82, 2365. [Pg.224]

The Assignment of Quantum Numbers for Electrons in Molecules. III. Diatomic Hydrides. Physic. Rev. 33, 730 (1929). [Pg.66]

Beckey, H.D. Wagner, G. Analytical Use of an Ion Field Mass Spectrometer. Fresenius Z Anal. Chem. 1963,197,58-80. Beckey, H.D. Schulze, P. Field Ionization Mass Spectra of Organic Molecules. III. n-Paraffins Up to C16 and Branched Paraffins. Z Naturforsch. 1965, 20A, 1329-1335. [Pg.376]

In general, the adsorption of a surfactant on particles with previously adsorbed polymer can be influenced by (i) a reduction of surface area available for adsorption as a result of the presence of adsorbed polymer, (ii) possible interactions between polymer and surfactant in the bulk solution or in the interfacial region (that is, surfactant with loops, tails or trains of adsorbed polymer molecules), (iii) the steric effect of adsorbed polymer, preventing approach of surfactant molecules for adsorption at the surface, or (iv) possible electrostatic effects if polymer and/or surfactant are charged species. [Pg.300]

Excimer may relax (i) by emission of characteristic structureless band shifted to about 6000 cm-1 to the red of the normal fluorescence, (ii) dissociate nonradiatively into original molecules, (iii) form a photodimer. Those systems which give rise to photodimers may not decay by excimer emission. The binoing energy for excimer formation is provided by interaction between charge transfer (CT) state A+A- A-A and charge resonance state AA s A A. [Pg.209]

Meesiri, W., Menczel, J., Gaur, U. and Wunderlich, B. Phase transitions in mesophase macro-molecules. III. The transitions in polyethylene terephthalate-co-oxybenzoate). J. Polymer. Sci., Polymer Phys. Ed., 20, 719 (1982)... [Pg.53]

Margossian, S. S., and Lowey, S. (1973a). Substructure of the myosin molecule. III. Preparation of single-headed derivatives of myosin./. Mol. Biol. 74, 301-311. [Pg.191]

F. Grein and T. C. Chang, Theor. Chim. Acta, 12, 243 (1968). Correlated One-Center Wavefunctions for Two-Electron Molecules. III. Correlated SCF Functions and Application to H . [Pg.292]

Hine, J. Brader, W. H. The effect of halogen atoms on the reactivity of other halogen atoms in the same molecule. III. The Sn2 reactivity of ethylene halides./. Am. Chem. Soc. 1953,... [Pg.133]

Braunstein, M. and Pack, R.T. (1992). Simple theory of diffuse structure in continuous ultraviolet spectra of polyatomic molecules. III. Application to the Wulff-Chappius band system of ozone, J. Chem. Phys. 96, 6378-6388. [Pg.383]

Bergmann, K. and Demtroder, W. (1972). Inelastic cross section of excited molecules. III. Absolute cross section for rotational and vibrational transitions in the Na2(B1IIu) state, J. Phys. B At. Mol. Phys., 5, 2098-2106. [Pg.270]

Gillespie and Millen [11] suggested another form of presentation of the association of nitric acid molecules by means of hydrogen bonds. They assumed that oxygen atoms linked by hydrogen bonds are tetrahedrally coordinated as in water molecules (III) ... [Pg.8]

We study MESA for three reasons, (i) MESA bridges the gap between molecular self-assembly, which has been successful at the nanometer level, and conventional fabrication of machines and parts, which has been successful for scales greater than 100 pm [refs. 16-23], Few techniques exist to assemble or fabricate objects or arrays in the size region between several nanometers and hundreds of microns, and new techniques in this regime would be welcome, (ii) We wished to develop systems of self-assembly in which we could control the parameters affecting self-assembly more easily than we can with molecules, (iii) We wished to extend the ideas and methods of self-assembly in chemistry and biology to self-assembly on the mesoscale. [Pg.104]

Equation (3.31.16) shows that A is linear with c. However, at high solute concentrations c, deviations from Beer s law can occur, due to (i) chemical reactions which modify the effective concentration of the solute, (ii) clusters which modify the capacity of each molecule to absorb independently of the other molecules, (iii) monochromator band-pass, particularly when the absorbance changes rapidly and nonlinearly with frequency v, or (iv) at high concentrations, the absorptivity oc(v) is no longer independent of concentration, because... [Pg.213]

Another possibility for the preparation of bicyclic systems such as III/47 from three-membered rings can be realized by a [2+2] cycloaddition of the cyclopropene, III/41, and an unsaturated molecule, III/46, such as alkene, alkyne, ketene, ketenimine, ketone, isocyanate, etc. A large number of examples of this reaction type have been reviewed recently [55]x). [Pg.47]

This phenomenon has been studied by different combined electrochemical techniques such as -> spectroelec-trochemistry, radioactive -> tracer method, -> electrochemical quartz crystal microbalance, conductivity etc. by varying the experimental parameters, e.g., film thickness, the composition and concentration of the electrolyte solutions, the wait-time at different waiting potentials, and temperature [iii-x]. Several interpretations have been developed beside the ESCR model. The linear dependence of the anodic peak potential on the logarithm of the time of cathodic electrolysis (wait-time) -when the polymer in its reduced state is an insulator -has been interpreted by using the concept of electric percolation [ix]. Other effects have also been taken into account such as incomplete reduction [vii], slow sorp-tion/desorption of ions and solvent molecules [iii-vi], variation of the equilibrium constants of -+polarons and - bipolarons [viii], dimerization [xi], heterogeneous effects [xii], etc. [Pg.197]

A simplified view of the early processes in electron solvation is given in Fig. 9 (i) the electron is ejected from a molecule upon ionization by radiolysis or photolysis (ii) in the thermalization step, the ejected electron progressively loses its excess kinetic energy in collisions with solvent molecules (iii) then, the electron is localized, trapped in a solvent site or cavity and (iv) becomes solvated when the solvent molecules have obtained their equilibrium configuration after relaxation. [Pg.42]

The conclusion is that the prescriptions of statistical quantum mechanics, e.g., that governing the way a thermal state is defined in Eq. (42), cannot explain chemical phenomena without taking over concepts from traditional chemistry in an ad hoc manner. These prescriptions do not give rise to (i) molecular isomers, (ii) handed molecules, (iii) monomer sequences in a macromolecule, or (iv) differently knotted macromolecules. For all these chemically well-known concepts, different expectation values of the nuclear position operators are necessary. [Pg.118]

H. A Posch. Collision induced light scattering from fluids composed of tetrahedral molecules III. Neopentane vapor. Molec. Phys., 46 1213-1230 (1982). [Pg.479]

Rajca, A. (2002). Organic spin clusters, fractals, and networks with very high-spin. In Hyper-structured Molecules III, Sasabe, H. (ed.), Chapter 3, pp. 46-60, Taylor Francis, London... [Pg.214]


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