The Fragment Molecular Orbital Method
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Language: en
Pages: 606
Pages: 606
Type: BOOK - Published: 2021-01-04 - Publisher: Springer Nature
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
Language: en
Pages: 304
Pages: 304
Type: BOOK - Published: 2009-05-14 - Publisher: CRC Press
Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecu
Language: en
Pages: 376
Pages: 376
Type: BOOK - Published: 2017-10-23 - Publisher: John Wiley & Sons
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that ar
Language: en
Pages: 360
Pages: 360
Type: BOOK - Published: 2021-02-18 - Publisher: Humana
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
Language: en
Pages: 123
Pages: 123
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media
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