Quantum chemistry has a wide range of applications across various scientific disciplines, from understanding the fundamental properties of atoms and molecules to designing new materials and drugs. One of the primary applications of quantum chemistry is in the field of molecular modeling and simulation. By solving the Schrödinger equation for a given molecular system, researchers can predict its structure, properties, and behavior with remarkable accuracy.
In drug discovery and design, quantum chemistry plays a crucial role in understanding the interactions between drug molecules and their biological targets. By simulating the binding of drugs to proteins or enzymes at the molecular level, researchers can optimize the efficacy and selectivity of drugs, leading to the development of more effective and safer treatments for various diseases. Quantum chemistry also has applications in materials science, where it is used to study the electronic properties of materials and predict their behavior under different conditions. For example, researchers use quantum chemistry techniques to design new catalysts for chemical reactions, improve the efficiency of solar cells, and develop novel materials with unique electronic, optical, or mechanical properties.
Title : Distant binuclear vanadium V(II) cationic sites in zeolites and their reactivity
Jiri Dedecek, J Heyrovsky Institute of Physical Chemistry , Czech Republic
Title : Oxidation of methane to methanol over pairs of transition metal ions stabilized in the zeolite matrices
Jiri Dedecek, J Heyrovsky Institute of Physical Chemistry , Czech Republic
Title : The Concept and Implications of Low Carbon Green Growth
Dai Yeun Jeong, Asia Climate Change Education Center, Korea, Republic of
Title : Memory characteristics and diffusionless phase transformations in shape memory alloys
Osman Adiguzel, Firat University, Turkey
Title : The Fe PNP 15 H2O catalyst reduction catalytic test and its valorisation as acid catalyst to the methylal synthesis
Rabeharitsara Andry Tahina, GPCI-ESPA Antananarivo University, Madagascar