Accurate first principles calculation of molecular charge distributions and solvation energies from ab initio quantum mechanics and continuum dielectric theory.
D.J. Tannor, B. Marten, R. Murphy, Richard A. Friesner, D. Sitkoff, A. Nicholls, B. Honig, Murco N. Ringnalda, William A. Goddard III
1994J. Am. Chem. Soc., 116(26), 11875–118821.0Kcited
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Tannor, D., Marten, B., Murphy, R., Friesner, R. A., Sitkoff, D., Nicholls, A., Honig, B., Ringnalda, M. N., & III, W. A. G. (1994). Accurate first principles calculation of molecular charge distributions and solvation energies from ab initio quantum mechanics and continuum dielectric theory.. *J. Am. Chem. Soc.*, *116*(26), 11875–11882. https://doi.org/10.1021/ja00105a030