Van der Waals models
Benchmark assessment of the accuracy of several van der Waals density functionals
... long-range van der Waals (dispersion) ...correlation models is the fam- ily of van der Waals density functionals (vdW-DF) introduced by Langreth and ...
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Analytical and numerical computations of the van der Waals force in complex geometries: Application to the filtration of colloidal particles
... der Waals forces, even if it means sometimes cruder models than we ...the van der Waals interaction energy estimation is to reduce the error introduced by simplifications of the ...
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Explaining the microtubule energy balance : contributions due to dipole moments, charges, van der Waals and solvation energy
... Keywords: microtubules; dipole moment; dynamic instability One of the most interesting features of microtubules (MTs) is their dynamic instability. In fact, most of the functions that MTs perform inside the cell are due ...
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Effect of van der Waals corrections on DFT-computed metallic surface properties
... different materials such as some noble metals, transition metals, alkali and alkaline-earth metals, ionic crystals, oxide and semiconductors. In 2013, Schimka et al [ 20 ] have computed the lattice constants and ...
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All Van der Waals Josephson Junctions
... limited. Van der Waals (vdW) materials and their heterostructures are known for their extraordinary crystalline quality, versatile electronic properties, and flexible assembly that can be achieved ...
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Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study
... Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study Tao Hu a , b , Iann C. Gerber a , ∗ a Université de Toulouse; INSA, UPS, CNRS; ...
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Van der Waals epitaxy of two-dimensional single-layer h-BN on graphite by molecular beam epitaxy: Electronic properties and band structure
... graphite, van der Waals epitaxy defines the long range order- ing of h-BN, even on ...a van der Waals gap, as shown in ...
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Two-to-three dimensional transition in neutral gold clusters: the crucial role of van der Waals interactions and temperature
... Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany 2 Department of Chemical Engineering, University of Michigan, Ann Arbor, MI 48109‑2136, USA 3 Department of Chemistry and ...
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Two-to-three dimensional transition in neutral gold clusters: the crucial role of van der Waals interactions and temperature
... Our paper gives insight into the stable structures of gas phase gold clusters by highlighting the impact of temperature, and therefore the importance of free energy over total-energy stu[r] ...
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Sur la méthode de Van der Corput pour les sommes d'exponentielles
... de Van der Corput [2] consiste à appliquer d’abord plusieurs fois la transformation A qui a pour effet de se ramener à une somme de type (o,1), mais avec un T moins grand que dans la somme originale, et de ...
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Mies Van der Rohe, Shinohara
... l'entablement et le podium du portique. *Quant à l'ordre géant du devant de l ’Altes Muséum, i l est également rappelé de manière très vive dans les antes plates des angles, juste en deçà desquelles s'arrêtent le bandeau ...
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Photomodulation of Charge Transport in All‐Semiconducting 2D–1D van der Waals Heterostructures with Suppressed Persistent Photoconductivity Effect
... Abstract Van der Waals heterostructures (VDWHs), obtained via the controlled assembly of two- dimensional atomically thin crystals, exhibit unique physico-chemical properties, rendering them ...
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Femtosecond Photodissociation Dynamics of van der Waals Cationic Clusters: a tool for detecting metastable isomers of organic cations
... 1 Introduction Carbocations are strongly electrophile compounds that play an important role as reactive intermediates in organic chemistry [1]. The most important reactive site is the charge centre and documenting the ...
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Etude de l'influence des forces de Van der Waals de couleur et d'effets non coulombiens dans la diffusion $^{208}$Pb+$^{208}$Pb par une experience de haute precision
... L'expérience a été réalisée au Ganil, une précision de 0.004° a été obtenue sur la position absolue des oscillations et un décalage de quelques centièmes de degrés par rapport à la posit[r] ...
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A Universal Approach toward Light-Responsive Two-Dimensional Electronics: Chemically Tailored Hybrid van der Waals Heterostructures
... The physical superposition of dissimilar two-dimensional materials (2DMs), which are free of dangling-bond on their surfaces, offers numerous solutions towards the development of van der Waals ...
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Infrared spectra of OCS-C6H6, OCS-C6H6-He, and OCS-C6H6-Ne van der Waals complexes
... / La version de cette publication peut être l’une des suivantes : la version prépublication de l’auteur, la version acceptée du manuscrit ou la version de l’éditeur.. For the publisher[r] ...
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Optical spectroscopy of excited exciton states in MoS 2 monolayers in van der Waals heterostructures
... were found from the calculations presented in Fig. 3 . Note that small deviations of the layer thicknesses from the values found in AFM studies (green, blue, and magenta curves) result in completely different amplitudes ...
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Regularities of the distribution of abstract van der Corput sequences
... holds for all words v of length ℓ − k + 1, and Theorem 2 is proved. In the case of β-adic van der Corput sequences, all bounded remainder sets satisfy the conditions of Proposition 1, see [Ste06]. The ...
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La conservazione dell’architettura e del paesaggio: il contributo belga di Louis Van der Swaelmen
... Belgique Van der Swaelmen incise in maniera decisiva nello sviluppo dell’idea di conservazione, come anche nella trasformazione di parte di territorio urbano belga devastato dai «continui imbruttimenti» ...
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Van der Corput sequences towards general (0,1)–sequences in base b
... original van der Corput sequences S b I are the worst distributed sequences among the permuted ones and among the NUT digital ones (with b prime) with respect to the four measures D ∗ , D, T ∗ and T ...
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