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The Water Dimer System

The PES of the water dimer system is characterised by three main stationary points the "quasi-linear" structure, representing the global minimum (Fig. 11), and the cyclic and bifurcated configurations (saddle points). [Pg.332]

Fig. 11 Transilinear Cs minimum energy geometry of the water dimer system. The relevant intermolecular coordinates are indicated. Fig. 11 Transilinear Cs minimum energy geometry of the water dimer system. The relevant intermolecular coordinates are indicated.
Optimised geometrical parameters for the water dimer system (see Fig 2). [Pg.272]

The water dimer is probably the most intensively studied intermolecular hydrogen bonded system of all. Hence, ample theoretical and experimental data is available for this system,... [Pg.235]

Korchowiec J, Uchimaru T (2000) New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems application to water dimer system. J Chem Phys 112(4) 1623—1633... [Pg.253]

A question arises, whether the various energy quantities derived by the SMO method could yield useful information on the monomer s role (proton donor or acceptor) in the weakly interacting water dimer system. [Pg.341]

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Dimerization Systems

The Water Dimer

Water dimer

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