HyperChem in Chemical Engineering
Classroom based course with study materials, lecturer support and CPD Hours included
London Training For Excellence
Summary
- Tutor is available to students
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Overview
Description
Modeling of 3D chemical structures
- Periodic table
- Auto build
- Graphical User Interfaces [GUI]
- 3D models
- Structural characteristics
- Chemical Characteristics
- Electronic properties
- Polymers
- New substances creation
- Moving, translating, using constraints on chemical structures
- Investigating energies and conformations
Capabilities:
- Molecular Dynamics
- Monte Carlo
- Ab Initio
- Density Functional Theory
- Semi Empirical force fields
- Available basis functions
- Atomic and molecular orbitals
- Geometry Optimizations
- Snapshots and recording
Case Studies:
- Hydrogen adsorption in porous carbonaceous adsorbents
- CO2 removal by adsorption in porous solids
- Catalysis
- Protein folding
- Solvation
- Water models
- Membranes selectivity and permeability
- Diffusion of gases onto porous surfaces of solids
- Protein folding
- Opto electronic properties of polymers
- Gas mixing
- Elastic polymers atomistic scale behavior
- VOC removal by MIPs, ACs, Carbon allotropes
- Novel Carbon structures [Graphene, Fullerene, Nanotubes]
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