A01=Mario Marsili
Adjacency Matrix
Author_Mario Marsili
Category=PN
Chemical Distance
cheminformatics
Computer Chemistry
Computer Cpu
computer-aided chemical structure interpretation
Computerized Axial Tomography
Core Memory
CPK Model
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FLUX Matrix
Free Electron Pair
Free Valences
MD Simulation
Molecular Graph
molecular modeling software
Molecular Modeling Systems
Molecular Modelling Systems
NMR Data
Orbital Electronegativity
Partial Atomic Charges
Peripheral Devices
physico-chemical parameter calculation
physico-chemical parameters
POE
Proton Carbon Correlations
Reaction Libraries
reaction simulation
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 9781138557888
- Weight: 453g
- Dimensions: 178 x 254mm
- Publication Date: 28 Jan 2019
- Publisher: Taylor & Francis Ltd
- Publication City/Country: GB
- Product Form: Paperback
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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.
