The measurement and impact of university teacher development programs

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Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

In the present paper we discuss and compare two different energy decomposition schemes: Mayer's Hartree-Fock energy decomposition into diatomic and monoatomic contributions [Chem. Phys. Lett. 382, 265 (2003)], and the Ziegler-Rauk dissociation energy decomposition [Inorg. Chem. 18, 1558 (1979)]. The Ziegler-Rauk scheme is based on a separation of a molecule into fragments, while Mayer's scheme can be used in the cases where a fragmentation of the system in clearly separable parts is not possible. In the Mayer scheme, the density of a free atom is deformed to give the one-atom Mulliken density that subsequently interacts to give rise to the diatomic interaction energy. We give a detailed analysis of the diatomic energy contributions in the Mayer scheme and a close look onto the one-atom Mulliken densities. The Mulliken density ρA has a single large maximum around the nuclear position of the atom A, but exhibits slightly negative values in the vicinity of neighboring atoms. The main connecting point between both analysis schemes is the electrostatic energy. Both decomposition schemes utilize the same electrostatic energy expression, but differ in how fragment densities are defined. In the Mayer scheme, the electrostatic component originates from the interaction of the Mulliken densities, while in the Ziegler-Rauk scheme, the undisturbed fragment densities interact. The values of the electrostatic energy resulting from the two schemes differ significantly but typically have the same order of magnitude. Both methods are useful and complementary since Mayer's decomposition focuses on the energy of the finally formed molecule, whereas the Ziegler-Rauk scheme describes the bond formation starting from undeformed fragment densities

Practical applications of quantum molecular similarity measures (QMSM): programs and examples

Es descriu l'aproximació de Capes Atòmiques dins de la teoria de la Semblança Molecular Quàntica. Partint només de dades teòriques, s'ha trobat una relació entre estructura molecular i activitat biològica per a diversos conjunts de molècules. Es descriuen els aspectes teòrics de la Semblança Molecular Quàntica i alguns exemples d'aplicació

The undergraduate level (1st study cycle) as a fundamental platform/ standard for the development of Urban and Regional Planning in higher education programs

The ongoing reforms, which were introduced under the Bologna Process and have already been extended outside of Europe , are a unique opportunity for reinforcing and structuring a common platform of understanding among members, based on the full time undergraduate courses in ( Urbanismo) Urban and Regional Planning. The training programs at this 1st cycle level, will obviously continue with the 2nd and 3rd cycles (Bachelor's Degree, Master's Degree and PhD Degree or 3+2+3 years). The training programs at this full time 1st cycle level, can also becomes the framework of understanding for the development of research in the urban fields at national and international levels.

An examination of the appropriateness of the CID grammatical analysis of elicted language as an instrument to compare language acquisition in deaf children enrolled in cued speech vs. oral and signed english programs

This paper discusses a study to compare test results of the CID GAEL test among hearing impaired children who are enrolled in cued speech vs. oral vs. signed english programs.

The relation of E.Q and I.Q. to learning from the standard self-instructional programs in spelling and english

This paper reviews a study that was done with hearing and hearing impaired children to test the effectiveness of self-instructional programs and whether the results can be correlated with Educational Quotient and Intelligence Quotient.

A comparison of two reading programs; SPIRE and Scott Foresman

This paper presents a study comparing two elementary school reading programs, the Scott Foresman 2000 Reading series and the Specialized Program Individualized Reading Excellence (S.P.I.R.E.) program.

Representation of Cued Speech in teacher of the deaf and hard of hearing preparation programs

This descriptive study investigates the representation of Cued Speech in teacher of the deaf preparation programs as well as attitudes towards inclusion of Cued Speech in those programs in the context of the 2004 reauthorization of IDEA. The issue of Cued Speech is discussed as a communication modality and implications for deaf education are presented.