Electrons cont electron

CELL 72 72 5 90 90 120 Cell parameters LATT A P Acentric, primitive cell ELECTRON SYMM -Y,X-Y,Z SYMM -X+Y,-X,Z SYMM Y,X,Z SYMM X-Y,-Y,Z SYMM -X,-X+Y,Z CONT 1500 C DATA 1... 

Fig. 1.11. (cont.) The Si and S2 potential energy surfaces have been calculated by Nonella and Huber (1986) and Suter, Briihlmann, and Huber (1990), respectively, whereas the PES for the So state is approximated by the sum of two uncoupled Morse oscillators. The shaded circles indicate the equilibrium region of the ground electronic state where the dissociative motion in the excited electronic states starts and the heavy arrows illustrate the subsequent dissociation paths. Detailed discussions of the absorption spectra and the vibrational state distributions of NO follow in Chapters 7 and 9. 

Fig. 13.3. (cont.) and (13.7). The wavefunctions are calculated using the empirical fit PES of Sorbie and Murrell (1975). The arrows indicate qualitatively the route of the evolving time-dependent wavepacket in the excited state. The dashed contours in (a) and (b) represent the A-state PES. Right-hand side The corresponding absorption spectra as functions of the energy in the excited electronic state. E = 0 corresponds to three ground-state atoms, H + O + H. Within this normalization the lowest eigenvalue of H20(A) is -9.500 eV. 

Fig. 14.4. (cont.) respect to exchange of the two hydrogen atoms. The dashed contours in the top panel represent the PES in the excited electronic state. In contrast to Figure 13.3 we show here the wavefunction rather than its modulus square ... 

Fig. 11 Three-dimensional structures of epothilones determined in different environments (O red, S yellow, N dark blue). Top structures of free EpoA determined by X-ray crystallography from dichloromethane/petroleum ether (top left [9 8] (a)) and from methanol/water (top right [143](b)). Bottom structures of EpoA bound to tubulin determined by solution NMR in aqueous medium (bottom left [96]) and by electron crystallography from zinc-stabilized tubulin sheets (bottom right [26]).(a) The crystal structure data have been available from the author to interested research groups since October 1995.(b) H.-J. Hecht, G. Hofle, unpublished results CCDC 241333 and CCDC 241334 contain the crystallographic data of this structure. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retiieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK fax (+ 44) 1223-336-033 or deposit cede. cam. ac. uk)...

Conte E (1985) Investigation on the chirality of electrons from 90Sr-90Y beta-decay and their asymmetrical interactions with D-and L-alanines. Lettere Al Nuovo Cimento (1971-1985) 44 641-647... 

FIGURE 9.6 (cont d). The fully contoured electron-density map. Carbon atoms represented by filled circles, nitrogen and oxygen atoms by open circles. Contour interval 1 electron/A, zero contour dotted. 

FIGURE 15.12 (cont d). (b) Crystal structure of 1,3,7,9-tetramethyluric acid and pyrene, (c) HOMO/LUMO overlaps for PAH-TNB complexes. Shown are signs of the wave functions (not electronic charge) for the HOMO and LUMO, and the overlap of molecules observed in the crystalline state (as predicted from the HOMO/LUMO overlap of positive with positive wave functions). 

Figure 1-2, Cont d B, Adjustable volume electronic micropipetting device with ergonomic design. C, Electronic programmable multi-channel pipette. (A Courtesy Biohit Pic.

Berges J., Kassab E., Conte D., Adjadj E., Houee-Levin C, Ab initio calculations on arginine-disulfide complexes modelling the one-electron reduction of lysozyme. Comparison to an experimental reinvestigation, J. Phys. Chem., 1997,101,7809-7817. 

TABLE 6 B73 STANDARDIZED ELECTRONIC DATA EXCHANGE FILE SPECIFICATION (CONT D)... 

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