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Recent Advances of the Fragment Molecular Orbital Method
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This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FM
The Fragment Molecular Orbital Method
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Authors: Dmitri Fedorov
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Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecu
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems
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Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that ar
Quantum Mechanics in Drug Discovery
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This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to a
Molecular Orbital Calculations Using Chemical Graph Theory
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Authors: Jerry R. Dias
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Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for