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Atomistic Models

Atomistic Models

NOTE: This is a BookBoon publication and you have to provide your email address to access it. The book is free for students, but all others only get it free for 30 days and requires a monthly subscription after that. Chemical modeling on the atomistic scale has become a general tool in chemistry research, but it is not always easy to understand the limitations of the applied methods or to interpret the results. Here, the concepts of computational chemistry is introduced on the M.Sc./Ph.D. level (basic knowledge in physical chemistry is assumed). The focus is on the user's perspective, the concepts needed to use computational chemistry in state-of-the-art research, and not on the method developer's perspective as efficient algorithms or software implementation. This first edition includes... Show More

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