Arumbakkam, Chennai 600106

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3 Days of Immersive Hands-on Training CLICK HERE TO
REGISTER
Learn & Explore with
Telegram link
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JOIN

Dr. Subramanian Chitra Dr. K. Premalatha

Associate Professor & Head Associate Professor & Head
PSGR Krishnammal College for Women D.G. Vaishnav College

Dr. Kayalvizhy. E Mr. A. Gopalakrishnan

Assistant Professor Assistant Professor
PSGR Krishnammal College for Women D.G. Vaishnav College

Dr. P. Kanchana Mr. L. Richardson

Assistant Professor M.Sc. Chemistry
PSGR Krishnammal College for Women D.G. Vaishnav College

Dr. N. Muthulakshmi Andal Mr. P. Karthick

Assistant Professor M.Sc. Chemistry
PSGR Krishnammal College for Women D.G. Vaishnav College
 Avogadro & MoPAC 2016

 Introduction & Installation

 Building Molecules
 Optimizing Geometry - Molecular Mechanics & Force Fields
 Aromaticity - Concept of Planarity in Molecules

 Introduction & Installation

 How MOPAC 2016 Works?
 Point Group Analysis
 Heat of Formation
 Vibrational Parameters (Rotational Constants, ZPE, Modes of Vibrations)
 Bond Order Calculations
 Pka of an Acid
 Calculations using Hamiltonians
 Molecular Orbital Theory (HOMO-LUMO Energies, Jmol Visualization)
Winmostar V 10 & WebMO

 Introduction & Installation

 Molecular Modelling & Editing
 Point Group Analysis
 Vibrational & Spectral Analysis
 UV-VIS Spectral Analysis By CNDO-d Method
 Molecular Orbital by CNDO-d Method
 Concept of Z-matrix

 Introduction
 WebMO Basics
Molecular Modelling
Geometry Optimization Mechanics
Symmetrize a Molecule
 Gaussian – Spectral Interpretation
 GAMESS - Transition State Optimization
 Huckel’s Molecular Orbitals - Visualization
Docking Studies & Cheminfomatics

 Introduction

 Drug-likeliness & Molecular Property Prediction

 In Silico Studies of Protein & Ligand Interaction

 Protein Ligand Binding Properties

 Virtual Chemistry Labs

INSTRUCTIONS

• Register on or Before July 25 , 2020

• Join telegram group for all updates of the online
workshop (mandatory)
• E- certificates will be issued on successful
completion of all the quizzes & assignments

A Desktop or laptop is must (64 bits preferably)

A free space of maximum 3 GB

CONTACT DETAILS

E-MAIL :