Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
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Graphene_Nanostructures_Modeling,_Simulation,_and_Applications_in.pdf
14.5 MB
Graphene Nanostructures Modeling, Simulation, and Applications in Electronics and Photonics by Yaser M. Banadaki, Safura Sharifi
Machine-Learning Applications in Drug Discovery - Basic to Advanced - 2021
A new release of MayaChemTools, an open source collection of command line
noscripts, is now available containing the following Python noscripts based on
Psi4:

o Psi4CalculateEnergy.py
o Psi4CalculatePartialCharges.py
o Psi4CalculateProperties.py
o Psi4GenerateConformers.py
o Psi4PerformMinimization.py
o Psi4VisualizeDualDenoscriptors.py
o Psi4VisualizeElectrostaticPotential.py
o Psi4VisualizeFrontierOrbitals.py

These Python noscripts rely on the availability of Psi4 and RDKit in your
environment. The RDKit is used to process molecules and generate initial 3D
coordinates for Psi4.
http://www.mayachemtools.org/
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Physical_Inorganic_Chemistry_A_Coordination_Chemistry_Approach_KETTLE.pdf
40.1 MB
Physical Inorganic Chemistry: A Coordination Chemistry Approach - KETTLE
Essentials_of_coordination_chemistry_a_simplified_approach_with.pdf
17.8 MB
Essentials of coordination chemistry : a simplified approach with 3D visuals - Bhatt, Vasishta
Ligand Overlay enables drug discovery without the target protein structure. Learn to use it in your ligand-based research workflow and how the CCDC uses agile development Thurs., 20 May. Click to register.Down pointing backhand index
#pharma #DrugDiscovery #chemistry
https://register.gotowebinar.com/register/6914250695137108238