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

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.

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.
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
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  

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  

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
Primary Immunodeficiency Diseases: A Molecular & Cellular Approach, 2 edition (repost)

Primary Immunodeficiency Diseases: A Molecular & Cellular Approach, 2 edition by Hans D. Ochs
English | August 24, 2006 | ISBN: 019514774X | Pages: 776 | PDF | 10,3 MB

The second edition of Primary Immunodeficiency Diseases presents discussions of gene identification, mutation detection, and clinical and research applications for over 100 genetic immune disorders–disorders featuring an increased susceptibility to infections and, in certain conditions, an icreased rate of malignancies and autoimmune disorders.

Orbital Interactions in Chemistry  

Posted by interes at Aug. 3, 2013
Orbital Interactions in Chemistry

Orbital Interactions in Chemistry by Thomas A. Albright, Jeremy K. Burdett and Myung-Hwan Whangbo
English | 2013 | ISBN: 047108039X | 834 pages | PDF | 33 MB

Explains the underlying structure that unites all disciplines in chemistry
Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum.
Primary Immunodeficiency Diseases: A Molecular & Cellular Approach by Hans D. Ochs

Primary Immunodeficiency Diseases: A Molecular & Cellular Approach by Hans D. Ochs
Publisher: Oxford University Press, USA; 2 edition (August 24, 2006) | ISBN: 019514774X | Pages: 776 | PDF |16.38 MB

The second edition of Primary Immunodeficiency Diseases presents discussions of gene identification, mutation detection, and clinical and research applications for over 100 genetic immune disorders–disorders featuring an increased susceptibility to infections and, in certain conditions, an icreased rate of malignancies and autoimmune disorders. Since the publication of the first edition, a flurry of new disease entities has been defined and new treatment regimens have been introduced, the most spectacular being successful treatment by gene therapy for two genotypes of combined immunodeficiency.