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Harcourt model

The generalization of the Harcourt model to basis sets not limited to the HOMO-LUMO on each chromophore leads to a number 2nc of covalent configurations and 2nl of ionic configurations, so that the wavefunctions for the initial (reactant) and the final (product) state become ... [Pg.489]

Figure 3.51 Diagram of the four configurations included in the original Harcourt model. Orbitals a and a are localized on chromophore A, whereas orbitals b and b are localized on chromophore B. Figure 3.51 Diagram of the four configurations included in the original Harcourt model. Orbitals a and a are localized on chromophore A, whereas orbitals b and b are localized on chromophore B.
By comparing Equation (3.149) with Equation (3.156) we can see a direct parallelism between the first two terms of V° (i.e. excluding the overlap) and the covalent coupling Vcc. As a matter of fact the parallelism becomes equivalence when the donor and acceptor units coincide with the previous A and B chromophores of the Harcourt model and their transition densities are dominated by a single excitation. This parallelism allows the combination of the VIEF term defined in Equation (3.150) with the Trp of the Harcourt model in order to get an effective coupling in solution,... [Pg.492]

I, Talmi, Simple Models of Complex Nuclei, Harcourt, Academic, Chur, 1993,... [Pg.178]

References Elaydi, Saber, and S. N. Elaydi, An Introduction to Difference Equations, Springer-Verlag, New York (1999) Fulford, G., P. Forrester, and A. Jones, Modelling with Differential and Difference Equations, Cambridge University Press, New York (1997) Goldberg, S., Introduction to Difference Equations, Dover (1986) Kelley, W. G., and A. C. Peterson, Difference Equations An Introduction with Applications, 2d ed., Harcourt/Academic Press, San Diego (2001). [Pg.34]

Box model for the biolimiting elements. Source From Broecker, W. S. (1974). Chemical Oceanography, Harcourt, Brace and Jovanovich Publishers, pp. 14-15. [Pg.228]

R.D. Harcourt in (a) Valence Bond Theory and Chemical Structure, D.J. Klein, N. Trinajstic, (eds.) Elsevier New York 1990, p. 251. (b) Quantum Mechanical Methods in Main-Group Chemistry, (T.M. Klapotke, A. Schulz) Wiley, Chichester 1998, p. 217. (c) Pauling s Legacy- Modern Theory (Modelling) of Chemical Bonding, Z.B. Maksic, W.J. Orville-Thomas, (eds.) Elsevier, New York 1999, p. 443. [Pg.375]

Lassmaim H, Wekerle H (1998) Experimental models of muldple sclerosis, hr Me Alpines Muldple Sclerosis (Comps ton A, Ebers G, Lassmamr H, McDonald I, Matthews B, Wekerle H, eds), pp 409 33. London Harcourt Brace Co. Ltd. [Pg.253]

The views of Green and Unnett were subjected to criticism by R. D. Brown and Harcourt [113]. The latter pointed out that Green and Unnett had overlooked the significant effect of a-electron delocalization upon N —N and N —C bonds. Brown and Harcourt proposed a new electronic structure with 0 + rr model. [Pg.378]

Selinger, B. (1998). Chemistry in the marketplace, 5 ed. Sydney Harcourt Brace. SeUey, N. (2000). Students spontaneous use of a particulate model for dissolution. [Pg.211]

Elsayed S (2002). Fish allergy and the codfish allergen model. In Brostoff J, CaUacombe SJ, (eds. ), Food Allergy and Intolerance, 2nd ed. Harcourt, London, pp. 425 33. [Pg.418]

Ross, S., 2000. Introduction to Probability Models, seventh ed. Harcourt Academic Press, San Diego. Vasicek, O., 1977. An equilibrium characterisation of the term structure. J. Financ. Econ. 5, 177-188. [Pg.36]

Ross S. M. 2000. Introduction to Probability Models. San Diego Harcourt Academic Press. [Pg.396]

The symmetric triatomic azide ion [Ns] is isoelec-tronic with N2O (see below) and its structure can easily be rationalized using the classic VSEPR model. The standard Lewis (1 and 3) and increased-valence Harcourt structures (2 and 4) are displayed in Fig. 4. The increased-valence Harcourt structures, which may be derived from... [Pg.170]

Sounis KC, Harcourt BE, Tang PH, Morley AL, Huynh K, Penfold SA, Coughlan MT, Cooper ME, Nguyen TV, Ritchie RH, Forbes JM (2012) Ubiquinone (coenzyme QIO) prevents renal mitochondrial dysfunction in an experimental model of type 2 diabetes. Free Radic Biol Med 52 716-723... [Pg.325]

Guldberg and Waage also initially experienced difficulties in finding the proper exponents involved in the description of the variations in the concentrations of the different substances this problem was resolved in 1887, in terms of molecular kinetic theory. However, far more importantly, these authors did not manage to distinguish the rate laws (what we would call today the initial conditions) from the derivatives of the equilibrium conditions. This considerably complicated and delayed the future development of chemical kinetics. The dynamic nature of chemical equilibrium was never in doubt. However, the complexity of the systems was far from being considered and the link between equilibrium and kinetics was weak. The works of Harcourt and Esson are models of meticulous experimental and theoretical work, but on reading them, it is also obvious that these authors had to confront many conceptual and technical problems. Their kinetic studies... [Pg.2]

R.D. Harcourt, (a) J. Phys. Chem. A, 101,2496,5962 (1997). (b) in Increased-valence Structures in Quantum Chemical Methods in Main-Group Chemistry (T.M. Klapdtke and A. Schulz, Wiley 1998), pp. 217-253. (c) in Pauling s Legacy Modem Modelling of the Chemical Bond , Theoretical and Computational Chemistry, Vol. 6 (Elsevier Science B. V., Z.B. Maksic and W.J. Orville-Thomas editors, 1999) pp. 449 80. [Pg.34]

R.D. Harcourt, in Pauling s Legacy Modem Modelling of the Chemical Bond, (Elsevier) p.449 (1999). See also Ref 6a. Figures 25-4 and 25-5 are reproduced with permission of Elsevier. [Pg.323]


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See also in sourсe #XX -- [ Pg.488 , Pg.495 , Pg.496 ]




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