Adhesion, forces and the stability of interfaces

• Robin Guttmann,
• Johannes Hoja,
• Christoph Lechner,
• Reinhard J. Maurer and
• Alexander F. Sax

Beilstein J. Org. Chem. 2019, 15, 106–129, doi:10.3762/bjoc.15.12

• the “flavor” of the interaction. Many-body effects Many-body systems [25] are composed of particles of different kind. Each particle interacts with all others, that is, all particles are highly correlated, otherwise one would have many one-body systems. The nature of the particles depends on how the

• calculation of adhesive forces, no detailed MBD studies are available, especially it is not clear, how strong the many-body effects change the shape and slope of the adhesion energy curves around the inflection point. Range of electrostatic interactions Electrostatic potentials of 2l-poles depend on the

Are dispersion corrections accurate outside equilibrium? A case study on benzene

• Tim Gould,
• Erin R. Johnson and
• Sherif Abdulkader Tawfik

Beilstein J. Org. Chem. 2018, 14, 1181–1191, doi:10.3762/bjoc.14.99

• distance and may thus be truncated after the 2nd-order or 3rd-order contributions. Many-body effects arise from a divergence or slow convergence in the same series due to Dobson-B or -C effects, so that the contributions must be treated as a formal power series and rewritten as an explicit function of the

Correlation effects and many-body interactions in water clusters

• Andreas Heßelmann

Beilstein J. Org. Chem. 2018, 14, 979–991, doi:10.3762/bjoc.14.83

• electron correlation effects. Efficient quantum chemistry approaches for describing intermolecular interactions between water molecules may therefore describe higher-body interactions on an uncorrelated Hartree–Fock level without a serious loss in accuracy. Keywords: dispersion; many-body effects; water

• -body interactions between two subsystems A and B. While three-body contributions to the DFT-SAPT method have been developed by Podeszwa and Szalewicz [29] many-body effects can, however, be also described by the two-body DFT-SAPT terms with the aid of the pseudodimer technique. For this, recall that