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PPT-Continuum Solvation Models in Gaussian 03

PPT-Continuum Solvation Models in Gaussian 03

Author : cheryl-pisano | Published Date : 2015-09-16

Dr Ivan Rostov Australian National University Canberra Email IvanRostovanueduau Outline Types of solvent effects and solvent models Overview of solvation continuum

solvent pcm cavity scrf pcm solvent scrf cavity kcal surface mol default electrostatic gaussian chem charges continuum charge effects energy iefpcm

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