Charge sensitivities

Naegele JR, Ghijsen J (1985) Localization and Hybridization of 5f States in the Metallic and Ionic Bond as Investigated by Photoelectron Spectroscopy. 59160 197-262 Nag K, Bose SN (1985) Chemistry of Tetra-and Pentavalent Chromium. 63 153-197 Naletvajski RE (1993) The Hardness Based Molecular Charge Sensitivities and Their Use in the Theory of Chemical Reactivity. 80 115-186 Natan MJ, see Hoffman BM (1991) 75 85-108 Neilands JB, see Liu A (1984) 58 97-106 Neilands JB, see Chimiak A (1984) 58 89-96... 

Nalewajski RF (2000) Charge sensitivities of the externally interacting open reactants. Int J Quant... 

Vol. 8 Charge Sensitivity Approach to Electronic Structure and Chemical Reactivity R. F. Nolewajski and J. Korchowiec... 

When a sample is loaded into the capillary, a transient diastereomer complex may be formed between the sample and the selector. The differing mobilities of the diastereomers in the buffer solution in the presence of an electric field is the reason for the separation. The differences of mobility between the diastereomers are the result of different effective charge sensitivities caused by the different spatial orientations of diastereomers or the specific intermolecular interactions between them. 

One can explicitly express the compliance matrix in terms of the elements of the principal charge sensitivities defining the generalized electronic-nuclear hardness matrix H of Equation 30.8, by eliminating AN and AQ from Equation 30.9 ... 

The HF results generated for representative polyatomic molecules have used the /V-derivatives estimated by finite differences, while the -derivatives have been calculated analytically, by standard methods of quantum chemistry. We have examined the effects of the electronic and nuclear relaxations on specific charge sensitivities used in the theory of chemical reactivity, e.g., the hardness, softness, and Fukui function descriptors. New concepts of the GFFs and related softnesses, which include the effects of molecular electronic and/or nuclear relaxations, have also been introduced. 

Baekelandt, B. G., Janssens, G. O. A., Toufar, H., Mortier W. J., Schoonheydt, R. A., and R. F. Nalewajski. 1995. Mapping between electron population and vibrational modes within the charge sensitivity analysis. J. Phys. Chem. 99 9784—9794. 

Nalewajski, R. F. 1993. The hardness based molecular charge sensitivities and their use in the theory of chemical reactivity. Struct. Bond. 80 115-186. 

Nalewajski, R. F. 1995. Charge sensitivity analysis as diagnostic tool for predicting trends in chemical reactivity. In Proceedings of the NATO ASI on Density Functional Theory, (Eds.) E. K. U. Gross, and R. M. Dreizler, pp. 339-389. New York Plenum Press. 

Nalewajski, R. F.1997. Consistent two-reactant approach to chemisorption complexes in charge sensitivity analysis. In Developments in the Theory of Chemical Reactivity and Heterogeneous Catalysis. (Eds.) W. M. Mortier, and R. A. Schoonheydt, pp. 135-196. Trivandrum Research Signpost. 

Nalewajski, R. F. 2000. Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis. Computers Chem. 24 243-257. 

Nalewajski, R. F. 2002a. Charge sensitivities of molecules and their fragments. In Reviews of Modern Quantum Chemistry A Celebration of the Contributions of Robert G. Parr, Vol. II., (Ed.) K. D. Sen, 1071-1105. Singapore World Scientific. 

Nalewajski, R. F. and A. Michalak. 1995. Use of charge sensitivity analysis in diagnosing chemisorption clusters Minimum-energy coordinate and Fukui function study of model toluene-[V205] Systems. Int. J. Quantum Chem. 56 603-613. 

Nalewajski, R. F. and A. Michalak. 1998. Charge sensitivity/bond-order analysis of reactivity trends in allyl-[Mo03] chemisorption systems A comparison between (010)- and (100)-surfaces. J. Phys. Chem. A 102 636-640. 

Nalewajski, R. F., Korchowiec J., and A. Michalak. 1996. Reactivity criteria in charge sensitivity analysis. Top. Curr. Chem. 183 25-141. 

Nalewajski, R.F., Korchowiec, J. and Michalak, A. Reactivity Criteria in Charge Sensitivity Analysis. 183, 25-142 (1996). 

Figure 3. The EDX detector is a reverse biased p-i-n diode, with a charge-sensitive preamphfier attached to its contacts.

Heidler, R., janssens, G.O.A., Mortier, W.J., and Schoonheydt, R.A. (1995) Charge sensitivity analysis of intrinsic basicity of faujasite-type zeolites using the electronegativity equalization method... 

A mild steel "witness plate served as the criterion of "detonation". A test was considered positive if a hole was punched. As a measure of charge sensitivity,served the length of gap at which there is 50% probability according to the above criterion. Results of tests are given in the report... 

In actual practice, however, the equation W/L =k does hold as good as the equation W/L =k, proposed by F.A. Olsen. The constant k is different for each combination of expls. The fact that the relation W/L3 does not fit experimental results, indicates that the sympathetic deton phenomenon depends not only on the weight but also on other factors. These factors might include strength (as mentioned before), detonation velocity, density of charge, sensitivity of receptor, etc... 

---