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Continuum Solvation Models in Gaussian 03 Continuum Solvation Models in Gaussian 03

Continuum Solvation Models in Gaussian 03 - PowerPoint Presentation

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Uploaded On 2015-09-16

Continuum Solvation Models in Gaussian 03 - PPT Presentation

Dr Ivan Rostov Australian National University Canberra Email IvanRostovanueduau Outline Types of solvent effects and solvent models Overview of solvation continuum models a vailable in Gaussian ID: 129936

solvent pcm cavity scrf pcm solvent scrf cavity kcal surface mol default electrostatic gaussian chem charges continuum charge 109 effects energy iefpcm

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