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Coops

Another question is whether the filled orbitals are of a bonding or antibonding character. This is displayed on a crystal orbital overlap population (COOP) plot as shown in Figure 34.3. Typically, the positive bonding region is plotted to the right of the zero line. [Pg.270]

The band-structure code, called BAND, also uses STO basis sets with STO fit functions or numerical atomic orbitals. Periodicity can be included in one, two, or three dimensions. No geometry optimization is available for band-structure calculations. The wave function can be decomposed into Mulliken, DOS, PDOS, and COOP plots. Form factors and charge analysis may also be generated. [Pg.333]

COOP (crystal orbital overlap population) a plot analogous to population analysis for band-structure calculations... [Pg.361]

In the Monod-Wyman-Changeux model for allosteric regulation, what values of L and relative affinities of R and T for A will lead activator A to exhibit positive homotropic effects (That is, under what conditions will the binding of A enhance further A-binding, in the same manner that S-binding shows positive coop-... [Pg.493]

An improvement over the general procedure given in organic syntheses is described. Vekkade and Coops, Rec. trav. chim. 46, 528. (1927). [Pg.121]

Prigogine, I., Lefevere, R. Synergetics, Coop. Phenomena Multi-Comp. Syst., 1st Proc. Symp., 1972, Maken H. B. (ed.), p. 125-135... [Pg.244]

Following is a list of other pertinent refs which are currently classified as limited distribution 1) D.C. Coop et al, Modernization Program for Nitric and Sulfuric Acid Manufacture and Concentration at Alabama Army Ammunition Plant , Rapt No 8-67, Contract DAAA21-67-C-0864, C and 1 Girdler Inc, Louisville (1967) 2)E. Banik et al, A Study on... [Pg.783]

MELVIN S. COOPS—Lawrence Livermore National Laboratory, Livermore, CA 94550... [Pg.377]

Coops, M.S. Bergin, J.B. Wallace, P.L. Work in Progress at Lawrence Livermore National Laboratory to be published. [Pg.404]

Trelidat (Coop. Farm.) Visergil (Sandoz)-comb. J Hydergine (Sandoz-... [Pg.650]

Coop, I.E. and Clark, V.R. (1966). Influence of live-weight on wool production and reproduction in high country Flocks. New Zealand Journal of Agricultural Research 9, 165-168. [Pg.343]

Fig. 10.2 Crystal Orbital Overlap Population (COOP) and Densities of States (DOS) plots for SrCa2ln2Ce (a) COOP plots of the In-In (solid) and In-Ge (dashed) interactions (b) DOS plots of the total DOS (dotted), ln-5py lone pair (dashed), and ln-5px p-states (solid). Fig. 10.2 Crystal Orbital Overlap Population (COOP) and Densities of States (DOS) plots for SrCa2ln2Ce (a) COOP plots of the In-In (solid) and In-Ge (dashed) interactions (b) DOS plots of the total DOS (dotted), ln-5py lone pair (dashed), and ln-5px p-states (solid).
Fig. 10.4 COOP and DOS plots for CasIngSne. (a) DOS plots. Total DOS - dotted line Ins trimer states - solid area ... Fig. 10.4 COOP and DOS plots for CasIngSne. (a) DOS plots. Total DOS - dotted line Ins trimer states - solid area ...
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See also in sourсe #XX -- [ Pg.270 , Pg.362 ]

See also in sourсe #XX -- [ Pg.270 , Pg.362 ]



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COOP (crystal orbital overlap

COOP (crystal orbital overlap structure

COOP curve

COOP metal

Coop selections

Crystal Orbital Overlap Population (COOP)

Crystal orbitals overlap populations COOPs)

Orbital Overlap Population (COOP)

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