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

This volume of Advances in Quantum Chemistry focuses on the theory of heavy ion physics in medicine.

Philip E. Hoggan (Author)

9780128005361

Hardback, published 26 February 2014

336 pages
22.9 x 15.1 x 2.4 cm, 0.59 kg

Approx.320 pages

On the Convergence of the Interpenetrating Bipolar Expansion for the Coulomb Potential - Harris J. SilverstoneBehavior Preserving Extension of Univariate and Bivariate Functions - David LevinAsymptotic Expansions of Barnett-Coulson-Lowdin Functions of High Order - Avram Sidi, Didier Pinchon and Philip E. HogganSelf-Consistent-Field Using Direct Inversion in Iterative Subspace Method and Quasi-Newton Vectors - Joshua J. Goings, Feizhi Ding and Xiaosong LiRelative Advantages of Quantum Monte Carlo Simulation for Changing Electron Correlation: CO Reactions on Copper and Platinum Catalysts - Philip E. Hoggan and Ahmed BoufergueneOEP Orbitals as a Reference for ab initio Many-Body Calculations - Adam Buksztel, Szymon Smiga and Ireneusz GrabowskiDensity-Dependent Exchange-Correlation Potentials Derived from Highly Accurate ab initio Calculations - Szymon Smiga, Adam Buksztel and Ireneusz GrabowskiPotential Energy Curves via Double Ionization Potential Calculations: Example of HF Molecule - Monika Musial, Justyna Cembrzynska, and Leszek MeissnerA Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111) - R. Ghomari, A. Bouferguene, P. E. Hoggan and S. M. MekellecheThe (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. BuenkerSystematic 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. BerricheIsotopic Effects in the Li+-Li Collisions at Lower and Higher Temperatures - F. Bouchelaghem and M. BouledrouaTheoretical Investigation of The Intramolucular H-Bonding on Tautomerism - Ismahan Lafifi and DjamelEddine Khatmiß-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

Subject Areas: Physical chemistry [PNR], Medical physics [PHVD]