Dr Mark A Zottola, University of Alabama Birmingham, Birmingham AL

 Title of e-presentation: 

A Computational Investigation into the Structure and Energetics of Acyclic Alpha Keto Cations

---

Dr Goedele Roos, Vrije Universiteit Brussel, Belgium

 

Title of e-presentation: 

The Thermodynamics of Thiol Sulfenylation

---

Mr Maxim S Galkin, University of Nizhni Novgorod, Russia

 
Title of e-presentation: 

The Reactions of Tetrachloride Germanium with Atomic Hydrogen and Chlorine

---

Dr Mansour Almatarneh, Jubail University College, Saudi Arabia

Title of e-presentation: 

High Level Ab initio, DFT and RRKM Calculations for the Unimolecular Decomposition Reaction of Ethylamine

---

Dr Mark A Zottola, University of Alabama Birmingham, Birmingham AL

 
Title of e-presentation: 

Novel Rearrangement of Alkyl Trisulfides to Thiono-Disulfides: A Computational Investigation

---

Dr Drahomir Hynk, Institute of Inorganic Chemistry of the Academy of Sciences, Czech Republic

 

Title of e-presentation: 

Is Platonic Icosahedral Solid Relevant to the Digital Age? Boron-based Icosahedra, the Computational/Electron Diffraction Structural Consequences of Functionalising the Cluster Atoms, their Removal, and of Sharing Two Icosahedra. Possible Application in Materials Science and Medicine

---

Dr Stoyan I Karakashev, Sofia University, Bulgaria

 

Title of e-presentation: 

Ion-Specific Effects and Adsorption Capacity of Ionic Surfactants with Simple Molecular Structure can be Predicted

---

Dr Noelia Faginas Lago, University of Perugia, Italy

 

Title of e-presentation: 

Empirical Intermolecular Potential in N-Methylacetamide-Water Disolution: Molecular Dynamics Simulations

---

Ms Aya Matsuda, Ochanomizu University, Japan

Title of e-presentation: 

Hydration Structure of Ra (II) and Fr(I): A Quantum Chemical Study

---

Dr Jason K Pearson, University of Prince Edward Island, Canada
 

Title of e-presentation: 

The Topology of Electron-Electron Interactions within the Chemical Bond

---

Prof Raphael I Ngochindo, University of Port Harcourt, Choba, Nigeria
 

Title of e-presentation: 

Simulation of Regioselectivity in the Electrophilic Substitution of Imidazoles

---

Dr Joaquin Barroso-Flores, University of Utah, USA

Title of e-presentation: 

In Silico Design of Monomolecular Drug Carriers based on Calix- and Thiacalix[n]arene Host Molecules using DFT and Molecular Dynamics Methods

---

Dr Lorentz Jäntschi, Technical University of Cluj-Napoca, Romania

 

Title of e-presentation: 

Artificial Photosynthesis: Porphyrins-Fullerene Molecular Complex

---

Prof Nethi Sekar, Institute of Chemical Technology, Mumbai, India

 

Title of e-presentation: 

A Comprehensive Spectroscopic and Computational Investigation of Intramolecular Proton Transfer in the Excited States of 2-(2'-Hydroxyphenyl) Benzoxazole and its Derivatives

---

Ms Sara Ghezali, University Djillali Liabes, Algeria

Title of e-presentation: 

Adsorption of 2,4,6-Trichlorophenol on Kaolinite: Ab Initio Calculations of Molecular Models

---

Dr Lorentz Jäntschi, Technical University of Cluj-Napoca, Romania

 

Title of e-presentation: 

First order Derivatives of Thermodynamic Functions under Assumption of no Chemical Changes