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Richard F.W. Bader
Transcript of Richard F.W. Bader
Born (1931) and raised in Kitchener
Family was not wealthy, applied to McMaster for a regional scholarship
Had an interest in observing the smallest of objects in surroundings since he was little
Dr. Bader worked in the field of Chemistry, and was recognized as a quantum chemist and a theoretical chemist
In his last years, he worked at McMaster University as a Professor, under the Department of Chemistry
To get to create this career, he studied/worked at:
Developed the QTAIM (Quantum Theory of Atoms in Molecules)
QTAIM states that atoms and chemical bonds in a molecular structure behave in a certain way because of the structure’s “electron density distribution function,” which has an important role in explaining the experimental results and observations of chemistry
Electron density distribution function refers to the distribution of electrons from the nucleus.
Allows the possibility of new applications of the theory
These new applications may eventually allow one to mimic the experiments performed in laboratories on a computer
Computerized experiments are possible due to linking together the functional groups of theory, and will be quick and efficient
Applications of QTAIM include creating new molecules and materials with specific properties
Many technologies have been created to implement QTAIM
A chemistry expert who studies the relation of the quantum theory and quantum mechanics to the make up of molecules in chemistry; quantum theory/mechanics is used to explain certain theoretical problems in chemistry.
McMaster University (where he received his BSc and MSc)
Massachusetts Institution of Technology (where he received his PhD, and did his post doctorate)
Cambridge University (where he continued to do his post doctorate work)
University of Ottawa (Assistant Professor under the Department of Chemistry)
His theory states that the topology of electron density can be used to determine the inter atomic forces (the force that bond atoms together in solids) that give a molecular structure its shape
Specifically for topology: he used the points where the electron density is zero (neither increasing or decreasing) to determine the shapes of molecular structures
Bader discovered that by added up the properties of constituent atoms, you could predict the molecular properties
Able to predict the properties of mole
Bader’s theory was founded based on distinguishing the very important role of electron density, and understanding their experimental results
AIMAll- Computational Chemistry using the Quantum Theory of Atoms in Molecules
AIMPAC – Software applications which apply the Quantum Theory of Atoms in Molecules
Significance of QTAIM
QTAIM helps quantify existing concepts of chemistry
Provides a physical representation of certain concepts in chemistry
Extends quantum theory to apply to parts of systems
Allows one to cut through electron density while leaving the laws of quantum mechanics complete
Performed small experiments as a boy (broken cucumber stalk)
Kept notes on his small experiments
With the aid of a Kipp generator, created hydrogen sulfide gas
Truly passionate about chemistry specifically
“One aspect of science that appealed greatly to me by the time I was in my early teens was that science is without prejudices - that truth, as acquired by observation, would always prevail. One builds upon the work of others that have preceded you, but then you are the master of your own fate, free to work on what you wish, as long as you follow the rules of the game - experiment and observation followed by theory.”
Theoretical Chemist vs. Experimental Chemist
Theoretical Chemist = A chemist that comes up with explanations to chemistry’s (unsolved) phenomena based on physics
Experimental Chemist = A chemist that comes up with explanations for the way chemicals react based on experimental results