Role of entropy in formation of van der Waals complexes | Zendy

Hobza P. | Zendy; Čársky P. | Zendy; Zahradník R. | Zendy

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Role of entropy in formation of van der Waals complexes

Author(s) -

Hobza P.,

Čársky P.,

Zahradník R.

Publication year - 1979

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560160206

Subject(s) - van der waals force , van der waals strain , van der waals surface , van der waals radius , chemistry , molecule , hamaker constant , theorem of corresponding states , thermodynamics , entropy (arrow of time) , chemical physics , computational chemistry , physics , organic chemistry

The T Δ S 0 term has been estimated for various types of van der Waals molecules and its importance for the stability predictions has been demonstrated. With hydrogen‐bonded complexes the absolute values of Δ H 0 and T Δ S 0 are comparable at 289°K. With true van der Waals molecules the T Δ S 0 term even represents a dominant contribution to Δ G 0 .

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