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The ONIOM Method The ONIOM Method

The ONIOM Method - PowerPoint Presentation

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Uploaded On 2017-07-12

The ONIOM Method - PPT Presentation

in Gaussian 03 Dr Ivan Rostov Australian National University Canberra Email IvanRostovanueduau Outline Basics of ONIOM method Overview of ONIOM features implemented in Gaussian 03 ID: 569289

amber oniom optimization atoms oniom amber atoms optimization link geometry morokuma high method 31g 21g system energy molecular level

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