Dr Sahar Abdalla, University of Khartoum, Sudan

Title of e-presentation:

Theoretical Study of Substituted Pyrrolidines and Phospholanes in Gas Phase and Aqueous Phases

Dr Hassan H. Abdallah, Salahaddin University, Iraq
 
Title of e-presentation:

Theoretical Study on the Mechanism of 1,3-Dipolar Cycloaddition Reactions between α,β-Unsaturated Selenoaldehyde with Nitrone and Nitrile Oxide

Prof Kishor Arora, Govt. P. G. College (Autonomous), India

Title of e-presentation:

3D-QSAR Studies for some Pyrazolones against a Pathogen

Dr Prashant S. Kharkar, SVKM'S NMIMS, India

Title of e-presentation:

In Search of Novel Anti-Inflammatory Agents: Computational Repositioning of Approved Drugs

Miss Hanusha Bhakhoa, University of Mauritius, Mauritius

Title of e-presentation:

The Journey to Cyclen Complexes of Alkali Metal Azides

Dr Tanmoy Chakraborty, Manipal University Jaipur, India

Title of e-presentation:

A Theoretical Analysis of Bi-Metallic (Cu-Ag)_{n = 1-7}  Nano Alloy Clusters Invoking DFT Based Descriptors

Dr C. S. Chidan Kumar, Universiti Sains Malaysia, Malaysia

Title of e-presentation:

Molecular Structure, FT-IR, Raman, XRD and Quantum Chemical Studies of 2-Acetyl-5-chlorothiophene

Ms Seema Dhail, Manipal University Jaipur, India

Title of e-presentation:

QSAR Study of Derivatives for Antimicrobial Evaluation of Novel Benzimidazole Type of Fluconazole Analogues Invoking Quantum Mechanical Based Descriptor

Ms Wiem F. Gtari and Prof Bahoueddine Tangour, Université de Tunis El Manar, Tunisia
    

Title of e-presentation:

A Theoretical Study of the Dihydrogen Molecule Confined inside Carbon Nanotubes

Prof Rita Kakkar, University of Delhi, India

Title of e-presentation:

Adsorption of Sarin on MgO Nanotubes: Roles of Doped and Defect Sites

Title of e-presentation:

Structural Insight into Impact of Polymorphism on Vacuum Morphologies and Solubility Prediction of Felodipine Form IV

Prof Aleksey Kuznetsov, Universidade Federal de São Carlos, Brazil

Title of e-presentation:

Metalloporphyrins with all the Pyrrole Nitrogens Replaced with Phosphorus Atoms, MP(P)₄ (M = Sc, Ti, Fe, Ni, Cu, Zn)

Title of e-presentation:

Theoretical Study of S_N2 Reactions

Dr Emildo Marcano, Universidad Pedagógica Experimental Libertador, Venezuela

Title of e-presentation:

Static (Hyper)Polarizability and Reorganization Energy of 4,5-Dicyanoimidazole Chromophores Derivate

Prof Fernando D. A. Morisso, Universidade Feevale, Brazil

Title of e-presentation:

Application of ab initio Calculations on the Study of the Tanning Process

Dr Goedele Roos, Vrije Universiteit Brussel, Belgium

Title of e-presentation:

The Motor behind the Thiol/Disulfide Redox Potential is the Release of Conformational Strain

Dr Mithilesh K. Singh, Patna University, India

Title of e-presentation:

DFT Augmented Exploration of Rearrangement of Imidazole N-Oxide to Imidazole-2-ones in Aqueous Media

Ms Malgorzata Szelag, Adam Mickiewicz University, Poland

Title of e-presentation:

Comparative Screening and Validation of a Novel Tool to Identify STAT-Specific Inhibitors

Prof Bahoueddine Tangour, Université de Tunis El Manar, Tunisia

Title of e-presentation:

Nanotubes: A Confinement Space to Store and Activate Molecules

Dr Tanmoy Chakraborty, Manipal University Jaipur, India

Title of e-presentation:

A Comparative Study of Different DFT Based Methodologies of Bi-Metallic Ag-Au_{n (n=1-7)} Nano Alloy Clusters