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Theoretical investigation of the conformational space of baicalin
(Elsevier Science Inc, 2017-09)
Flavonoids are a large group of polyphenolic compounds ubiquitously present in plants. They are important components of human diet. They are recognized as potential drug candidates to be used in the treatment and prevention ...
Mechanical conductance tunability of a porphyrin–cyclophane single-molecule junction
(Royal Soc Chemistry, England, 2022)
The possibility to study quantum interference phenomena at ambient conditions is an appealing feature
of molecular electronics. By connecting two porphyrins in a cofacial cyclophane, we create an attractive
platform for ...
Interaction of an Atomic Gas with Light Carrying Orbital Angular Momentum
(Optical Society of America, 2019)
The orbital angular momentum of light affects the response of point-like and extended systems. For a gas undergoing S-P transitions we show qualitative differences among collimated and tightly-focused light without and ...
Desarrollo de métodos de propagador para el estudio de procesos de ionización molecular empleando la metodología del orbital nuclear molecular y su implementación en el paquete computacional LOWDIN
(2013)
En este trabajo se propone la teoría de propagadores empleando el método del orbital nuclear molecular para cualquier tipo de partícula (APMO/PT). Esta metodología es una extensión de la teoría del propagador electrónico ...
Localization of a spin-orbit-coupled Bose-Einstein condensate in a bichromatic optical lattice
(2014-06-03)
We study the localization of a noninteracting and weakly interacting Bose-Einstein condensate (BEC) with spin-orbit coupling loaded in a quasiperiodic bichromatic optical lattice potential using the numerical solution and ...
A nonzero gap two-dimensional carbon allotrope from porous graphene
(2012-12-05)
Graphene has been one of the hottest topics in materials science in the last years. Because of its special electronic properties graphene is considered one of the most promising materials for future electronics. However, ...
A nonzero gap two-dimensional carbon allotrope from porous graphene
(2012-12-05)
Graphene has been one of the hottest topics in materials science in the last years. Because of its special electronic properties graphene is considered one of the most promising materials for future electronics. However, ...
Band shift in chromium(III) complexes with mixed ligands: molecular orbital approach
(Pergamon Press, 1969)
The shift of the first and second spin allowed bands due to the stepwise replacement of the nitrogen atoms in a complex of Cr(III) of the CrN6 type of oxigen atoms of water or of carboxylic groups is analized in terms of ...
Band shift in chromium (III) complexes with mixed ligands. A molecular orbital approach
(1969)
The shift of the first and second spin allowed bands due to the stepwise replacement of the nitrogen atoms in a complex of Cr(III) of the CrN6 type by oxygen atoms of water or of carboxylic groups is analyzed in terms of ...