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Noncovalent interactions were firstly taken into consideration by van der Waals in 1873, helping to revise the equation of state for real gases. In comparison to covalent bonds, intra- and intermolecular noncovalent interactions are in general weak and exhibit much lower energy and directionality, as reflected by the term ''noncovalent''. Nevertheless, in many cases these interactions can collectively play a dominant role in synthesis, catalysis and design of materials.