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Theoretical Models for Surface Forces and Adhesion and Their Measurement Using Atomic Force Microscopy
(Mdpi Ag, 2012-10-01)
The increasing importance of studies on soft matter and their impact on new technologies, including those associated with nanotechnology, has brought intermolecular and surface forces to the forefront of physics and materials ...
Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol
(Wiley Blackwell Publishing, Inc, 2009-04)
The title compound, C12H16BrO2, is an inter-esting case of a simple organic mol-ecule making use of five different types of intra- and inter-molecular inter-actions (viz. conventional and nonconventional hydrogen bonds, ...
Theoretical exploration of the forces governing the interaction between gold–phthalocyanine and gold surface clusters
(Royal Society of Chemistry, 2020)
Here we aim to explore the nature of the forces governing the adsorption of gold-phthalocyanine on gold substrates. For this, we designed computational models of metal-free phthalocyanine and gold-phthalocyanine deposited ...
Generalized van der Waals theory for phase behavior of two-dimensional nematic liquid crystals: Phase ordering and the equation of state
(American Physical Society, 2019-12)
Liquid crystalline ordering of anisotropic particles in two dimensions is important in many physical and biological systems and their phase behavior is still a topic of interest. A generalized van der Waals theory is ...
Reatividade química da superfície da calcopirita e mecanismo de separação da mistura etanol-água em metal-organic frameworks
(Universidade Federal de Minas GeraisUFMG, 2013-08-23)
The description of the chemical reactivity in the solid/liquid interface is a challenge for computational simulation and molecular modelling. In this thesis, two chemical processes in the solid/liquid interface, which are ...
Topological magnonics in the two-dimensional van der Waals magnet CrI3
(Amer Physical Soc, 2020)
We report on the magnon spectrum of Kitaev-Heisenberg magnets and extract the parameters to model a two-dimensional CrI3. Our minimal spin Hamiltonian includes a contribution stemming from a Heisenberg, isotropic exchange, ...
Solitary waves in van der Waals-like transition in fluidized granular matter
(ELSEVIER, 2006-11-01)
Solitary wave solutions exhibited at the onset of the phase transition in fluidized granular matter are perused. In the quasi-sonic limit the system is modeled by two Korteweg de Vries equations. We study the solitary wave ...
An introduction to dispersive interactions
(IOP Publishing, 2021)
Br⋯Br and van der Waals interactions along a homologous series: Crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes
(International Union of Crystallography, 2016-10)
The crystalline structures of four homologues of the 1,2-dibromo-4,5-dialkoxybenzene series [Br2C6H2(OCn H2n+1)2 for n = 2, 12, 14 and 18] have been solved by means of single-crystal crystallography. Comparison along the ...