A theoretical screening of the O H⋅⋅⋅π interaction between water and benzene using density-functional approaches: Effects of nonlocal exchange and long-range dispersion corrections in the true minimum
Murillo H. Queiroz, Tiago Vinicius Alves, Roberto Rivelino
Topics & Concepts
Chemistryvan der Waals forcePerturbation theory (quantum mechanics)Dispersion (optics)Density functional theoryBenzeneQuadratic equationRange (aeronautics)Hybrid functionalPerturbation (astronomy)London dispersion forceComputational chemistryStatistical physicsChemical physicsQuantum mechanicsPhysicsMoleculeOrganic chemistryComposite materialMaterials scienceMathematicsGeometrySpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesAtmospheric Ozone and Climate