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Computational Catalysis
Computational chemistry is a discipline of chemistry that involves computer simulations to aid in the resolution of chemical problems. It calculates the structures and properties of molecules and materials using theoretical chemistry methods merged into efficient computer systems. Computational chemistry's function in catalysis and reaction elucidation has become a staple in modern research. It has been around for at least 30 years in some form or another. It is feasible to determine the energetic profiles for each elementary step in a complicated reaction, as well as reaction rates, by calculating the structural properties of relevant species interacting with a catalyst, such as reactants, products, and intermediates.
- Chemoselective catalysis
- Homogenous catalysis
- Computational chemistry
Committee Members
Stanislaw Dzwigaj
Sorbonne University, France
Dai Yeun Jeong
Asia Climate Change Education Center, Korea, Republic of
Thomas J Webster
Interstellar Therapeutics, United States
Christopher Koroneos
University of Western Attica, Greece CCET 2025 Speakers
Haibo Ge
Texas Tech University, United States
Thomas J Webster
Interstellar Therapeutics, United StatesSubmit your abstract Today
Title : Application of metal single-Site zeolite catalysts in heterogeneous catalysis
Stanislaw Dzwigaj, Sorbonne University, France
Title : Using cells as the environmentally catalyst for nanoparticle synthesis: Killing bacteria, inhibiting inflammation, and growing tissues
Thomas J Webster, Interstellar Therapeutics, United States
Title : Human impact on natural environment and its implications
Dai Yeun Jeong, Asia Climate Change Education Center, Korea, Republic of
Title : Green synthesis of SnO2@Cu(O,S) nanocomposite catalysts for reduction of Cr(VI) under dark condition
Misganaw Alemu Zeleke, University of Limerick, Ireland
Title : Shape memory phenomena and crystallographic transformations in shape memory alloys
Osman Adiguzel, Firat University, Turkey
Title : Chemical soil biological engineering and biogeosystem technique methodology
Valery P Kalinitchenko, All Russian Phytopathology Research Institute, Russian Federation
Title : Phenol removal from wastewater using innovative biological and industrial wastes as adsorbents
Ashanendu Mandal, University of Calcutta, India
Title : Controlling the production process of unplasticized polyvinyl chloride profile using adaptive neural fuzzy inference system
Avaz Naghipour, University College of Nabi Akram, Iran (Islamic Republic of)
Title : Heterojunction photocatalysts comprising Z-Scheme magnetic nanocomposites are investigated for their efficacy in degrading organic pollutants and dynamic molecular studies
Redouane Haounati, Mohammed VI Polytechnic University, Morocco
Title : Photoremoval of some brominated phenols (4-bromophenol and 2,4,6-tribromophenol) with reused polystyrene foam and SnO2
Delia Teresa Sponza, Dokuz Eylul University, Turkey