The Library
Computational bioinorganic chemistry
Tools
UNSPECIFIED (2004) Computational bioinorganic chemistry. PRINCIPLES AND APPLICATIONS OF DENSITY IN INORGANIC CHEMISTRY II, 113 . pp. 37-69. doi:10.1007/b97941
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1007/b97941
Abstract
Selected examples of density functional theory applied to modelling the active site structures and mechanisms of metalloenzymes are discussed. Factors influencing the design of suitable structural models and the theoretical strategies for computing their structures, energies and properties are presented before describing the calculations on a number of redox-active enzymes containing one or more of Cu, Co, Ni, Fe and Mo.
Item Type: | Journal Item | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QD Chemistry | ||||
Series Name: | STRUCTURE AND BONDING | ||||
Journal or Publication Title: | PRINCIPLES AND APPLICATIONS OF DENSITY IN INORGANIC CHEMISTRY II | ||||
Publisher: | SPRINGER-VERLAG BERLIN | ||||
ISSN: | 0081-5993 | ||||
Official Date: | 2004 | ||||
Dates: |
|
||||
Volume: | 113 | ||||
Number of Pages: | 33 | ||||
Page Range: | pp. 37-69 | ||||
DOI: | 10.1007/b97941 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |