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Mostrando ítems 1-10 de 19935
Desenvolvimento da microscopia de força química usando modelagem molecular
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Ciência dos Materiais - PPGCM-So, 2013-03-19)
In this work was developed a prototype of a new nanobiosensor with molecular specificity through a study of theoretical models of Chemical Force Microscope. For the sensing were used molecular modeling techniques as well ...
Quantum-classical correspondence and the role of the dipole function in molecular dissociation
(Elsevier B.V., 2014-07-18)
We consider the quantum and classical dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses. The field-molecule interaction is given by the product of the time-dependent electric field ...
Structure and function of channels and channelogs as studied by computational chemistry
(Springer-Verlag, 1991)
Synthesis of Diiodo-Functionalized Benzo[b] furans via Electrophilic Iodocyclization
(Soc Brasileira Quimica, 2017)
An electrophilic iodocyclization reaction involving alkynylated 2-iodoanisoles and molecular iodine in the presence of sodium bicarbonate was developed and diiodo-functionalized benzo[b] furans were obtained in yields from ...
Impact of molecular interactions with phenolic compounds on food polysaccharides functionality
(2019-01-01)
Commercial trends based of the emergence of plant-based functional foods lead to investigate the structure-function relationship of their main bioactive constituents and their interactions in the food matrix and throughout ...
Estudio del estado fundamental de sistemas moleculares diatómicos /
(2009)
En este trabajo presentamos el estudio detallado de la estabilidad del estado fundamental de sistemas moleculares pequeños utilizando distintos métodos numéricos. El objetivo principal de este trabajo es la obtención de ...