화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 New Model for Calculation of Solvation Free-Energies - Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects
Marten B, Kim K, Cortis C, Friesner RA, Murphy RB, Ringnalda MN, Sitkoff D, Honig B
Journal of Physical Chemistry, 100(28), 11775, 1996
2 Accurate First Principles Calculation of Molecular Charge-Distributions and Solvation Energies from Ab-Initio Quantum-Mechanics and Continuum Dielectric Theory
Tannor DJ, Marten B, Murphy R, Friesner RA, Sitkoff D, Nicholls A, Ringnalda M, Goddard WA, Honig B
Journal of the American Chemical Society, 116(26), 11875, 1994