Buscar
Mostrando ítems 21-30 de 290
A beta-Cyclodextrin/Siloxane Hybrid Polymer: Synthesis, Characterization and Inclusion Complexes
(Soc Brasileira QuimicaSao PauloBrasil, 2010)
Paramagnetic collective electronic mode and low temperature hybrid modes in the far infrared dynamics of orthorhombic NdMnO3
(IOP Publishing, 2013-08)
We report on the far- and mid-infrared reflectivity of NdMnO3 from 4 to 300 K. Two main features are distinguished in the infrared spectra: active phonons in agreement with expectations for the orthorhombic ${\mathrm{D}} ...
Hybrid Treatments Based on Determinant Seniority Numbers and Spatial Excitation Levels in the Configuration Interaction Framework
(Elsevier Academic Press Inc, 2018-01)
In this work we project the Hamiltonian of an N-electron system onto a set of N-electron determinants cataloged by their seniority numbers and their excitation levels with respect to a reference determinant. We show that, ...
Cálculo de funções de Wannier para nanomateriais: cumuleno e grafeno
(Universidade Estadual Paulista (Unesp), 2017-04-28)
Gregory H. Wannier, em 1937, introduziu uma representação dos orbitais eletrônicos cristalinos em termos de funções ortogonais localizadas relacionadas com os orbitais atômicos. Posteriormente, tais funções foram denominadas ...
Structural deformation monitored by vibrational properties and orbital modeling in (Pb,Sm)TiO3 systems
(Pergamon-Elsevier B.V. Ltd, 2010-01-01)
Pb1-xSmxTiO3 (PST) powders with x varying from 0 to 0.1 were obtained by the polymeric precursor method, a soft chemical route. The vibrational properties relating tetragonal to pseudo-cubic phase transition were studied ...
A tree code for planetesimal dynamics: Comparison with a hybrid direct code
(Wiley Blackwell Publishing, Inc, 2003-12)
We present a tree code for simulations of collisional systems dominated by a central mass. We describe the implementation of the code and the results of some test runs with which the performance of the code was tested. A ...