Journal of Physical Chemistry B 2006 Donald G. Truhlar - Abstracts
| Journal of Physical Chemistry B 2006 Donald G. Truhlar | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton. | Chemicals, plastics and rubber industries | Donald G. Truhlar, Christopher J. Cramer, Casey P. Kelly | |||
| Assessment of the pairwise additive approximation and evaluation of many-body terms for water clusters. | Chemicals, plastics and rubber industries | Donald G. Truhlar, Erin E. Dahlke | |||
| [Pd.sub.n]CO (n = 1,2): Accurate ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling. | Chemicals, plastics and rubber industries | Donald G. Truhlar, Christopher J. Cramer, Nathan E. Schultz, Benjamin F. Gherman | |||
| Phase behavior of elemental aluminum using Monte Carlo simulations. | Chemicals, plastics and rubber industries | Donald G. Truhlar, J. Ilja Siepmann, Divesh Bhatt, Ahren W. Jasper, Nathan E. Schultz | |||
| Predicting aqueous free energies of solvation as functions of temperature. | Chemicals, plastics and rubber industries | Donald G. Truhlar, Christopher J. Cramer, Adam C. Chamberlin | |||
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