Buscar
Mostrando ítems 81-90 de 457
The effects of substituents and solvents on the conformation of benzophenones
(BioChem Press, 2004-06)
Motivation. Natural and synthetic benzophenones are compounds of great scientific and applied interest due to the varied biological and physicochemical properties that they posses. As part of a program aimed at investigating ...
Collisions between a single gold atom and 13 atom gold clusters: an ab initio approach
(SPRINGER, 2011-01)
Collision processes between a single gold atom and a gold cluster are investigated by means of ab initio techniques. The targets we consider are minimum energy 13 gold atom clusters. The kinetic energy of the projectile ...
Estudo mecânico-quântico de derivados metóxi e hidróxi da molécula de benzofuranonaMechanical-quantum study of methoxy and hydroxy derivatives of benzofuranone molecule
(Universidade Federal de UberlândiaBrasilQuímica Industrial, 2018)
Evaluación de la adsorción de especies de arsénico en medio acuoso usando nanopartículas de magnetita, mediante simulaciones AB-Initio en el marco DFT orientada a la creación de filtros de agua.
(Escuela Superior Politécnica de Chimborazo, 2020-08-28)
The objective of this study is to evaluate the adsorption of arsenic species in aqueous medium using magnetite nanoparticles (NPs), through ab-initio simulations within the framework of functional density theory (DFT) ...
Estudio estructural de los semiconductores aip, gaas con estructura wurzita
(Revista Mexicana de Física, 2009)
Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3
(Universidade Federal do Rio Grande do NorteBRUFRNPrograma de Pós-Graduação em FísicaFísica da Matéria Condensada; Astrofísica e Cosmologia; Física da Ionosfera, 2007-06-11)
The physical properties and the excitations spectrum in oxides and semiconductors materials are presented in this work, whose the first part presents a study on the confinement of optical phonons in artificial systems based ...
Conditions giving rise to intense visible room temperature photoluminescence in SrWO4 thin films: the role of disorder
(Elsevier B.V., 2005-06-06)
The nature of intense visible photoluminescence at room temperature of SrWO4 (SWO) non-crystalline thin films is discussed in the light of experimental results and theoretical calculations. The SWO thin films were synthesized ...