van der Waals energiesX-ray diffractionWe herein present a crystallographic approach for determining and analyzing the free energy of ligand binding,which provides a detailed picture identifying,at atomic level,specific van der Waals interactions that contribute to the binding energy.The difference in ...
However, they found that in the case of van der Waals two-body interactions the binding energies at unitarity are approximately given solely in terms of the van der Waals length. It has not been reported how the relationship between EN+1/EN−1 and EN/EN−1 changes when moving away ...
The van der Waals interaction energies between non-planar geometries are obtained without the assumption that the distance between two non-planar bodies is much smaller than radii of the non-planar bodies. Based on atomto-body van der Waals energies, we calculate body-to-body van der Waals ...
Application to several non-reactive metal-sapphire systems shows the predicted van der Waals energy to provide a good lower-bound estimate of the measured adhesion energy. Apart from platinum and palladium, where strong metal-aluminium interactions have been predicted, adhesion energies in noble-metal...
The interaction energy ΔE of a vdW cluster is calculated from two approaches: (1) the supermolecular variational method, which gives the ΔE as the difference between the energy of the cluster and the sum of the energies of the isolated subsystems forming a cluster; and (2) the ...
Anisotropic planar polaritons - hybrid electromagnetic modes mediated by phonons, plasmons, or excitons - in biaxial two-dimensional (2D) van der Waals crystals have attracted significant attention due to their fundamental physics and potential nanophoto
Upon dumping to ground-state levels above D0, efficient vibrational predissociation of the complexes occurred, allowing us to determine the S0 state van der Waals binding energies very accurately. The D0(S0) values are <214.5±0.5 cm-1 (R=Ne), 530.4±1.5 cm-1 (R=Ar), 687.9±4.0 cm-1...
The key role of the anisotropy, both structural and electronic, provides optimism that large exciton binding energies can be found in other highly anisotropic bulk van der Waals systems. Particularly, other van der Waals magnets, where predictions of extraordinarily large exciton binding energies in ...
The focus, however, has been mainly on complexes at equilibrium geometries. The purpose of this study is to assess the performance of the functional PW86?+?PBE?+?XDM on van der Waals (vdW) complexes at non-equilibrium geometries. The well balanced S66x8 database published by Hobza's ...
Manuel A.Matias, Mario Raimondi, Elena Toornaghi, Spin coupled valence bond theory of van der Waals systems: application to LiH.He, Mole.Physica. 1994Matias M A,Raimondi M,Tornaghi E,et al.Spin coupled valence bond theory of van der Waals systems:application to LiH.He,Mol. Physica . ...