Listar por tema "Density functional theory"
Mostrando ítems 1-2 de 2
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Steric and chain length effects in the (√(3) × √(3))R30° structures of alkanethiol self-assembled monolayers on Au(111)
(Wiley-VCH Verlag, 2011)The translational and orientational potential energy surfaces (PESs) of n-alkanethiols with up to four carbon atoms are studied for (√(3) × √(3))R30° self-assembled monolayers (SAMs). The PESs indicate that methanethiol ... -
Study of the Chemical Activities of Carbon Monoxide, Carbon Dioxide, and Oxygen Traces as Critical Inhibitors of Polypropylene Synthesis
(Cartagena de IndiasCampus Tecnológico, 2024-02-23)This study outlines the investigation into how the compounds CO2 , CO, and O2 interact with the active center of titanium (Ti) on the surface of MgCl2 and how these interactions impact the productivity of the Ziegler–Natta ...
Universidad Tecnológica de Bolívar - 2017 Institución de Educación Superior sujeta a inspección y vigilancia por el Ministerio de Educación Nacional. Resolución No 961 del 26 de octubre de 1970 a través de la cual la Gobernación de Bolívar otorga la Personería Jurídica a la Universidad Tecnológica de Bolívar.