Aguilar, M.A., del Valle, F.J.Olivares, Tomasi, J. (1991) Electron correlation and solvation effects. II. The description of the vibrational properties of a water molecule in a dielectric given by the application of the polarizable continuum model with inclusion of correlation effects. Chemical Physics, 150. 151-161 doi:10.1016/0301-0104(91)80125-2

See Also

These are possibly similar items as determined by title/reference text matching only.

	del Valle, F.J.Olivares, Tomasi, J. (1991) Electron correlation and solvation effects. I. Basic formulation and preliminary attempt to include the electron correlation in the quantum mechanical polarizable continuum model so as to study solvation phenomena. Chemical Physics, 150. 139-150 doi:10.1016/0301-0104(91)80124-z
	Del Valle, F.J.Olivares, Aguilar, M., Tolosa, S., Contador, J.C., Tomasi, J. (1990) Applications of the basic polarizable continuum model. A study of the vibrational properties of diatomic solutes. Chemical Physics, 143. 371-379 doi:10.1016/0301-0104(90)87017-6
	del Valle, F.J.Olivares, Aguilar, M.A., Contador, J.C. (1993) Cavity boundaries in the ab initio polarizable continuum model. Chemical Physics, 170. 161-165 doi:10.1016/0301-0104(93)80060-m
	del Valle, F. J. Olivares, Aguilar, M.A. (1992) Correlation and solvation effects. IV. A systematic analysis of the influence of cavity size and shape on solvation properties in the polarizable continuum model with electron correlation. Journal of Computational Chemistry, 13 (2). 115-134 doi:10.1002/jcc.540130202
	(1991) F.J. Olivares del Valle, R. Bonaccorsi, R. Cammi and J. Tomasi, Electron correlation and solvation effects Part 3. Influence of the basis set and the chemical composition on the solvation energy components evaluated with the quantum mechanical polarizable continuum model. Journal of Molecular Structure: THEOCHEM, 232. 349-350 doi:10.1016/0166-1280(91)85264-8
	del Valle, F.J.Olivares, Aguilar, M.A., Tolosa, S. (1993) Polarizable continuum model calculations including electron correlation in the ab initio wavefunction. Journal of Molecular Structure: THEOCHEM, 279. 223-231 doi:10.1016/0166-1280(93)90070-r
	Aguilar, M.A., del Valle, F.J.Olivares (1989) A computation procedure for the dispersion component of the interaction energy in continuum solute-solvent models. Chemical Physics, 138. 327-336 doi:10.1016/0301-0104(89)87139-3
	Del Valle, Francisco J.Olivares, Bonaccorsi, Rosanna, Cammi, Roberto, Tomasi, Jacopo (1991) Electron correlation and solvation effects. Journal of Molecular Structure: THEOCHEM, 230. 295-312 doi:10.1016/0166-1280(91)85186-b
	Aguilar, M.A., del Valle, F.J.Olivares (1989) Solute-solvent interactions. a simple procedure for constructing the solvent cavity for retaining a molecular solute. Chemical Physics, 129. 439-450 doi:10.1016/0301-0104(89)85013-x
	Contador, J. C., Sanchez, M. L., Aguilar, M. A., Olivares del Valle, F. J. (1996) Solvent effects on the potential energy surface of the 1:1 complex of water and formamide: Application of the polarizable continuum model to the study of nonadditive effects. The Journal of Chemical Physics, 104 (14). 5539-5546 doi:10.1063/1.471793
	Cammi, R., del Valle, F.J.Olivares, Tomasi, J. (1988) Decomposition of the interaction energy with counterpoise corrections to the basis set superposition error for dimers in solution. Method and application to the hydrogen fluoride dimer. Chemical Physics, 122. 63-74 doi:10.1016/0301-0104(88)87260-4