Buscar
Mostrando ítems 1-10 de 1459
Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field
(American Chemical Society, 2014-08)
The theory of response of a molecule in the presence of a static nonuniform magnetic field with uniform gradient is reviewed and extended. Induced magnetic dipole, quadrupole, and anapole moments are expressed via multipole ...
Electrostatic potentials and polarization effects in proton-molecule interactions by means of multipoles from the quantum theory of atoms in molecules
(WILEY-BLACKWELLHOBOKEN, 2013-08-02)
Some atomic multipoles (charges, dipoles and quadrupoles) from the Quantum Theory of Atoms in Molecules (QTAIM) and CHELPG charges are used to investigate interactions between a proton and a molecule (F2, Cl2, BF, AlF, ...
Chitosan/silver nanocomposites for colorimetric detection of glucose molecules
(Elsevier B.V., 2019)
This study was about the simple method for the rapid colorimetric and visual detection of glucose molecules in water medium. Silver nanoparticles were spread on the chitosan surface (CS/Ag NCs) and it was characterized by ...
QTAIM charge-charge flux-dipole flux models for the fundamental infrared intensities of BF3 and BCl3
(Pergamon-elsevier Science LtdOxfordInglaterra, 2013)
Excited states for hydrogen ion molecule confined by a prolate spheroidal boxes: variational approach
(2020-08-01)
The energy eigenvalues for confined H2+ molecule are computed by using the variational method. The approach proposed here uses a trial molecular function for the ground state composed of a linear combination of atomic ...
Spectroscopy of the CO-H2 van der Waals molecule
(Facultad Experimental de Ciencias de la Universidad del Zulia, 2011)
Quantum theory of atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of X2CY (X = H, F, Cl; Y = O, S) molecules
(Amer Chemical SocWashingtonEUA, 2007)