Molecular Orbital Diagram

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 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.
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.
Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian

Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian by José J. C. Teixeira-Dias
English | 1 Feb. 2017 | ISBN: 331941092X | 472 Pages | PDF | 24.96 MB

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters,
Quantum Chemical Approach for Organic Ferromagnetic Material Design (SpringerBriefs in Molecular Science)

Quantum Chemical Approach for Organic Ferromagnetic Material Design (SpringerBriefs in Molecular Science) by Yuriko Aoki
English | 2017 | ISBN: 3319498274 | 138 Pages | PDF | 6.51 MB
Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian

Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian by José J. C. Teixeira-Dias
English | 1 Feb. 2017 | ISBN: 331941092X | 472 Pages | PDF | 24.96 MB

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.
Molecular Physical Chemistry: A Computer-based Approach using Mathematica and Gaussian

Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian by José J. C. Teixeira-Dias
English | 21 Nov. 2016 | ISBN: 331941092X | 463 Pages | PDF | 24.96 MB

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond.

Orbital Interactions in Chemistry (repost)  eBooks & eLearning

Posted by libr at Oct. 22, 2015
Orbital Interactions in Chemistry (repost)

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

Elements of Molecular Symmetry (Repost)  eBooks & eLearning

Posted by happy4all at Aug. 7, 2015
Elements of Molecular Symmetry (Repost)

Elements of Molecular Symmetry By Yngve Ohrn
2000 | 306 Pages | ISBN: 0471363235 | PDF | 7 MB