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Library | Item Barcode | Call Number | Material Type | Item Category 1 | Status |
|---|---|---|---|---|---|
Searching... | 30000010329062 | QD453 M47 2014 | Open Access Book | Book | Searching... |
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Summary
Summary
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.
Author Notes
Born 15.03.1961 in Aberystwyth, GB. French mother and Scottish father who were French literature specialists at the University. One sister.
Schooled at Ardwyn Grammar which became Penglais Comprehensive in Aberystwyth.
Admitted to Trinity College, Cambridge in 1978 to read Natural Sciences. Graduated in 1983 (MA).
I had become interested in theoretical quantum chemistry. Leisure activities: Rugby, Theatre, Debate, Competitive Wine-tasting (Master of Wine).
Obtained DPhil (in English) and DSc (Doctorat d'Etat-in French) doctorates by research after moving to the theoretical chemistry group in Nancy, France (1983). Began teaching in 1986. Moved to a permanent lecturer position in Caen in 1992.
The stay in Nancy was devoted to methodology, including Green's functions for electron transfer to metals from weakly interacting molecules. Caen explicitly involved catalysis. I became the first theoretician in a group, half of which worked closely with the petroleum industry and the half I was more directly associated with in Infra-red measurements to determine reaction intermediate structure. This was a very fruitful collaboration and by the time I was appointed to the chair of Theoretical Chemistry in Clermont (1998), two of my former students were able to take over the research and teaching.
Presently, I am still in Clermont. In 2005, I moved to the Physics institute (Institut Pascal) to work on semi-conductor surfaces, in a set-up similar to that in Caen, with a majority of X-ray structure characterisation and some density functional theory and dynamics. The whole of 2003 and part of 2004 had been devoted to a visiting professor position in Tallahassee, Florida amid a very stimulating theoretical physics group.
Since 2008, I have developed an expertise in Quantum Monte Carlo (QMC) simulations.
The CNRS has supported this with a total of two full-time and one part time years of leave for research which lowed me to visit several QMC research teams, notably in Paris and Toulouse. This status includes 2017.
I married a research biochemist from Clermont and we have two daughters.
Table of Contents
| On the Convergence of the Interpenetrating Bipolar Expansion for the Coulomb PotentialHarris J. Silverstone |
| Behavior Preserving Extension of Univariate and Bivariate FunctionsDavid Levin |
| Asymptotic Expansions of Barnett-Coulson-Lowdin Functions of High OrderAvram Sidi and Didier Pinchon and Philip E. Hoggan |
| Self-Consistent-Field Using Direct Inversion in Iterative Subspace Method and Quasi-Newton VectorsJoshua J. Goings and Feizhi Ding and Xiaosong Li |
| Relative Advantages of Quantum Monte Carlo Simulation for Changing Electron Correlation: CO Reactions on Copper and Platinum CatalystsPhilip E. Hoggan and Ahmed Bouferguene |
| OEP Orbitals as a Reference for ab initio Many-Body CalculationsAdam Buksztel and Szymon Smiga and Ireneusz Grabowski |
| Density-Dependent Exchange-Correlation Potentials Derived from Highly Accurate abinitio CalculationsSzymon Smiga and Adam Buksztel and Ireneusz Grabowski |
| Potential Energy Curves via Double Ionization Potential Calculations: Example of HF MoleculeMonika Musial and Justyna Cembrzynska and Leszek Meissner |
| A Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111)R. Ghomari and A. Bouferguene and P. E. Hoggan and S. M. Mekelleche |
| The (SiH) 3+ Quasi-Molecule in the Adiabatic RepresentationD. C. Joseph and B. C. Saha and J-P. Gu and H. P. Liebermann and P. Funke and R. J. Buenker |
| Systematic Study of the Electronic Properties and Trends in the LiX (X=Na, K, Rb, Cs and Fr) MoleculesS. Bellayouni and I. Jendoubi and N. Mabrouk and H. Berriche |
| Isotopic Effects in the Li+-Li Collisions at Lower and Higher TemperaturesF. Bouchelaghem and M. Bouledroua |
| Theoretical Investigation of The Intramolucular H-Bonding on TautomerismIsmahan Lafifi and DjamelEddine Khatmi |
| ß-cyclodextrin Interaction with Edaravone: Molecular Modeling StudyMohamed Rahim and Leila Nouar and Sakina Haiahem and Fatiha Madi and Fateh Djebnoune and DjamelEddine Khatmi |
| Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by ß-CyclodextrinImene Djilani and Leila Nouar and Fatiha Madi and Sakina Haiahem and Abdelaziz Bouhadiba and DjamelEddine Khatmi |
| First Principles Calculations of Electronic and Optical Properties of LiAlH 4 in its Monoclinic and Tetragonal PhasesSacia Djeroud and Farouk Adjailia |
