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- W1507431750 endingPage "699" @default.
- W1507431750 startingPage "665" @default.
- W1507431750 abstract "The nature of Van der Waals binding may be described in terms of four basic types of interactions: electrostatic, induction, dispersion and exchange. These interactionsare useful to classify and understand the physical origin of intermolecular potentials, and the probable structures of Van der Waals complexes. In this context, they play a similar role to the concepts of covalent and ionic binding in strong chemical interactions. The fundamental interaction energy constituents are included in the rigorous quantum theory of weak molecular clusters. They can be calculated with a desired accuracy, and represented with analytical forms that are related to a variety of simple and physically sensible models. Today, both the ab initio calculations and the potential modeling can be performed for small- and medium-sized molecules, and provide reliable intermolecular PESs for a wide range of mutual intermolecular orientations. Future calculations should also include the intramonomer degrees of freedom, and incorporate them into the final potential form. Very little has been done in this area so far but the tools are already available. All these advances will be accompanied by simulations of the dynamics and vibrational averaging, with the ultimate goal of bridging the chasm between our understanding of the electronic structure of atoms and molecules, and macroscopic character of matter." @default.
- W1507431750 created "2016-06-24" @default.
- W1507431750 creator A5004015641 @default.
- W1507431750 creator A5039358511 @default.
- W1507431750 creator A5087051133 @default.
- W1507431750 date "1999-01-01" @default.
- W1507431750 modified "2023-10-18" @default.
- W1507431750 title "The nature of Van der Waals bond" @default.
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- W1507431750 doi "https://doi.org/10.1016/s1380-7323(99)80029-6" @default.