A01=Mario Marsili
Adjacency Matrix
Age Group_Uncategorized
Age Group_Uncategorized
Author_Mario Marsili
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Category1=Non-Fiction
Category=PN
Chemical Distance
cheminformatics
Computer Chemistry
Computer Cpu
computer-aided chemical structure interpretation
Computerized Axial Tomography
COP=United Kingdom
Core Memory
CPK Model
Delivery_Pre-order
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eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
FLUX Matrix
Free Electron Pair
Free Valences
Language_English
MD Simulation
Molecular Graph
molecular modeling software
Molecular Modeling Systems
Molecular Modelling Systems
NMR Data
Orbital Electronegativity
PA=Temporarily unavailable
Partial Atomic Charges
Peripheral Devices
physico-chemical parameter calculation
physico-chemical parameters
POE
Price_€100 and above
Proton Carbon Correlations
PS=Active
Reaction Libraries
reaction simulation
softlaunch
spectral data analysis
Structure Elucidation Systems
Substructural Information
Synthesis Design Systems
synthesis pathway design
Synthesis Tree
Van Der Waals
Van Der Waals Model
Vertex Graph
Product details
- ISBN 9781138105010
- Weight: 540g
- Dimensions: 178 x 254mm
- Publication Date: 13 Jul 2017
- Publisher: Taylor & Francis Ltd
- Publication City/Country: GB
- Product Form: Hardback
- Language: English
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Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.
