Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry: Volume 68

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry: Volume 68 : Proceedings of MEST 2012: Electronic Structure Methods With Applications to Experimental Chemistry

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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.
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Product details

  • Hardback | 336 pages
  • 154 x 232 x 24mm | 559.99g
  • Academic Press Inc
  • San Diego, United States
  • English
  • New
  • 012800536X
  • 9780128005361

Table of contents

On the Convergence of the Interpenetrating Bipolar Expansion for the Coulomb Potential - Harris J. Silverstone Behavior Preserving Extension of Univariate and Bivariate Functions - David Levin Asymptotic Expansions of Barnett-Coulson-Lowdin Functions of High Order - Avram Sidi, Didier Pinchon and Philip E. Hoggan Self-Consistent-Field Using Direct Inversion in Iterative Subspace Method and Quasi-Newton Vectors - Joshua J. Goings, Feizhi Ding and Xiaosong Li Relative Advantages of Quantum Monte Carlo Simulation for Changing Electron Correlation: CO Reactions on Copper and Platinum Catalysts - Philip E. Hoggan and Ahmed Bouferguene OEP Orbitals as a Reference for ab initio Many-Body Calculations - Adam Buksztel, Szymon Smiga and Ireneusz Grabowski Density-Dependent Exchange-Correlation Potentials Derived from Highly Accurate ab initio Calculations - Szymon Smiga, Adam Buksztel and Ireneusz Grabowski Potential Energy Curves via Double Ionization Potential Calculations: Example of HF Molecule - Monika Musial, Justyna Cembrzynska, and Leszek Meissner A Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111) - R. Ghomari, A. Bouferguene, P. E. Hoggan and S. M. Mekelleche The (SiH)3+ Quasi-Molecule in the Adiabatic Representation - D. C. Joseph, B. C. Saha, J-P. Gu, H. P. Liebermann, P. Funke and R. J. Buenker Systematic Study of the Electronic Properties and Trends in the LiX (X=Na, K, Rb, Cs and Fr) Molecules - S. Bellayouni, I. Jendoubi, N. Mabrouk and H. Berriche Isotopic Effects in the Li+-Li Collisions at Lower and Higher Temperatures - F. Bouchelaghem and M. Bouledroua Theoretical Investigation of The Intramolucular H-Bonding on Tautomerism - Ismahan Lafifi and DjamelEddine Khatmi ss-cyclodextrin Interaction with Edaravone: Molecular Modeling Study - Mohamed Rahim, Leila Nouar, Sakina Haiahem, Fatiha Madi, Fateh Djebnoune and DjamelEddine Khatmi Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by ss-Cyclodextrin - Imene Djilani, Leila Nouar, Fatiha Madi, Sakina Haiahem, Abdelaziz Bouhadiba and DjamelEddine Khatmi First Principles Calculations of Electronic and Optical Properties of LiAlH4 in its Monoclinic and Tetragonal Phases - Sacia Djeroud and Farouk Adjailia
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About Philip E. Hoggan

Philip Hoggan is from Aberyswyth. He was admitted to Trinity College, Cambridge after the entrance exam in 1978. He graduated in 1983 in Natural Sciences (Theoretical chemistry) then went to France for a year's post-graduate study but has not returned to live in the UK since. He was appointed lecturer at Caen in 1992 and researched with a catalysis CNRS team until 1998 when he was given a professorship in Clermont Ferrand. PH is also visiting professor of theoretical physics at FAMU, Tallahassee, Florida, which was cemented by stays totaling over a year in 2003 and 2004 as well as other shorter visits. Since then, research in France has been re-structured into large Institutes, so PH has been attached to a Surface Physics research team since 2005 in the large Physics institute called 'Institut Pascal' or UMR CNRS 6602. PH is married to a leading biochemist and they have twin daughters. Extra-curricular interests include rugby (PH played for 30 years starting age 11), theatre (PH acted, mostly whilst a student in English, French and Russian language productions) and archeology (mostly bronze-age in a broad sense).
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