Molecular Orbital Approach

The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems (repost)

The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems by Dmitri Fedorov and Kazuo Kitaura
English | May 14, 2009 | ISBN-10: 1420078488 | 288 pages | PDF | 6,5 MB
The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems (repost)

The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems by Dmitri Fedorov and Kazuo Kitaura
English | May 14, 2009 | ISBN-10: 1420078488 | 288 pages | PDF | 6,5 MB

Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein–ligand interactions, and is extremely effective in calculating the properties of biological systems and molecular clusters.
The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems

The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems
CRC Press; Har/Cdr edition | May 14, 2009 | ISBN-10: 1420078488 | 288 pages | PDF | 6.47 MB

Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999.

Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)  eBooks & eLearning

Posted by Alexpal at March 31, 2006
Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)

Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)
Wiley-Interscience | ISBN 0471358339 | 2000 Year | PDF | 3,54 Mb | 360 Pages

Orbital Approach to the Electronic Structure of Solids  eBooks & eLearning

Posted by leonardo78 at Feb. 28, 2016
Orbital Approach to the Electronic Structure of Solids

Orbital Approach to the Electronic Structure of Solids by Enric Canadell, Marie-Liesse Doublet, Christophe Iung
Publisher: Oxford University Press | 2012 | ISBN: 0199534934 | 352 pages | PDF | 22,4 MB

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems.

Biopolymers: A molecular paleontology approach (repost)  eBooks & eLearning

Posted by interes at May 31, 2015
Biopolymers: A molecular paleontology approach (repost)

Biopolymers: A molecular paleontology approach (Topics in Geobiology) by Neal S. Gupta
English | 2014 | ISBN: 9400779356 | 174 pages | PDF | 8,6 MB

The DV-X Molecular-Orbital Calculation Method  eBooks & eLearning

Posted by Underaglassmoon at Feb. 16, 2015
The DV-X Molecular-Orbital Calculation Method

The DV-X Molecular-Orbital Calculation Method
Springer | Clinical Chemistry, Metallurgy, Quantum Chemistry, Industrial Engineering | Nov. 7 2014 | ISBN-10: 3319111841 | 361 pages | pdf | 12.5 mb

This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields.

Biopolymers: A molecular paleontology approach  eBooks & eLearning

Posted by interes at Nov. 19, 2014
Biopolymers: A molecular paleontology approach

Biopolymers: A molecular paleontology approach (Topics in Geobiology) by Neal S. Gupta
English | 2014 | ISBN: 9400779356 | 174 pages | PDF | 8,6 MB

Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)  eBooks & eLearning

Posted by Alexpal at July 16, 2006
At request. Reupload. Link was deleted.

Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)

Arvi Rauk, "Orbital Interaction Theory of Organic Chemistry" (2nd Edition)
Wiley-Interscience | ISBN 0471358339 | 2000 Year | PDF | 3,54 Mb | 360 Pages
Bonding in Electron-Rich Molecules: Qualitative Valence-Bond Approach via Increased-Valence Structures (2nd edition)

Bonding in Electron-Rich Molecules: Qualitative Valence-Bond Approach via Increased-Valence Structures (2nd edition) By Richard D. Harcourt
2015 | 344 Pages | ISBN: 3319166751 | PDF | 12 MB