Vibrational spectroscopy for probing molecular-level interactions in organic films mimicking biointerfaces

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Pareto Frontier for the time-energy cost vector to an Earth-Moon transfer orbit using the patched-conic approximation

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Synthesis and vibrational spectra of bimetallic compounds of the type [(NH3)(L)ZnFe(CO)4] (L = bidentate amine

New compounds with the general formulae [(NH3)(L)ZnFE(CO4] (L = ethylenediamine, N-methylethylenediamine, N,N′-dimethylethylenediamine and 1,3-propanediamine) were prepared and studied by vibrational spectroscopy. The data suggest that they may be formulated as monomers with a trigonal bipyramidal configuration around the iron atom. © 1984.

A radial basis function network (RBFN) for function approximation

A radial basis function network (RBFN) circuit for function approximation is presented. Simulation and experimental results show that the network has good approximation capabilities. The RBFN was a squared hyperbolic secant with three adjustable parameters amplitude, width and center. To test the network a sinusoidal and sine function,vas approximated.

Vibrational-rotational analysis of supersingular plus quadratic A/r(4)+r(2) potential

Most work on supersingular potentials has focused on the study of the ground state. In this paper, a global analysis of the ground and excited states for the successive values of the orbital angular momentum of the supersingular plus quadratic potential is carried out, making use of centrifugal plus quadratic potential eigenfunction bases. First, the radially nodeless states are variationally analyzed for each value of the orbital angular momentum using the corresponding functions of the bases; the output includes the centrifugal and frequency parameters of the auxiliary potentials and their eigenfunction bases. In the second stage, these bases are used to construct the matrix representation of the Hamiltonian of the system, and from its diagonalization the energy eigenvalues and eigenvectors of the successive states are obtained. The systematics of the accuracy and convergence of the overall results are discussed with emphasis on the dependence on the intensity of the supersingular part of the potential and on the orbital angular momentum.

Comparative study between powers of sigmoid functions, MLP-backpropagation and polynomials in function approximation problems

Function approximation is a very important task in environments where the computation has to be based on extracting information from data samples in real world processes. So, the development of new mathematical model is a very important activity to guarantee the evolution of the function approximation area. In this sense, we will present the Polynomials Powers of Sigmoid (PPS) as a linear neural network. In this paper, we will introduce one series of practical results for the Polynomials Powers of Sigmoid, where we will show some advantages of the use of the powers of sigmiod functions in relationship the traditional MLP-Backpropagation and Polynomials in functions approximation problems.

Vibrational and rotational spectroscopy of (CD3OD)-C-13

We have used Fourier Transform spectral data on the C-O stretching mode of (CD3OD)-C-13 in order to perform a vibro-rotational analysis for this molecule. We have estimated a few molecular parameters of the ground and C-O stretching vibrational modes. Based on these parameters, and by using the Kwan-Dennison model, we propose assignments for a number of far-infrared laser transitions of (CD3OD)-C-13.