cally is an accurate measurement of the binding energy, D 0. Just recently a refined measurement of the water dimer bind-ing energy was published by Reisler et al.1 using resonance enhanced multiphoton ionization (REMPI) and velocity map imaging to determine the water dimer binding energy to be 1105 ± 10 cm−1. The ab initio binding energy between the two water molecules is estimated to be 5-6 kcal/mol, although values between 3 and 8 have been obtained depending on the method. The global minimum on the water trimer potential energy surface has been investigated by means of second-order Mo/ller-Plesset (MP2) perturbation theory employing the series of correlation-consistent basis sets aug-cc-pVXZ (X = D, T, Q, 5, 6), the largest of which contains 1329 basis functions. The free energy of head-to-head dimerization of β-CDs in water was calculated to be −12 kJ/mol using the same force field as in this work; 40 this value is very close to Lopez’s work of −14 kJ/mol (although the force fields used were different). report an experimental measurement of the benzene dimer binding energy at −1.66 ± 0.16 kcal/mol. In order to estimate the dependence of the electrostatic binding energy on the salt concentration, the electrostatic binding energy was calculated for the monomer and dimer state in the range of the monovalent salt from 0.05 to 0.4 M and the plot of … The ab initio binding energy between the two water molecules is estimated to be 5-6 kcal/mol, although values between 3 and 8 have been obtained depending on the method. A beam of water dimers with 93% purity and rotational temperature of 1.5 K was obtained. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. In the context of their study of the benzene–water interaction, and without further analysis with respect to benzene dimer geometry, Courty et al. Since the original matrix isolation for the water dimer by Pimentel and collaborators, I experimental methods to determine the structure, binding energy, dipole moment, and spectra of the water dimer have progressed consider ably.2-13 Along with the experimental progress, a number of theoretical studies of the water dimer have been per formed.
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