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Documents Artem R. Oganov- High-Pressure Crystallogaphy

High-Pressure Crystallogaphy Habilitation Thesis Presented by Artem R. Oganov Submitted to the Department of Materials, ETH Zurich March 2007 2 Acknowledgements This Habilitation…

Documents CurrentStatusAMOEBA ForceField

J. Phys. Chem. B 2010, 114, 2549–2564 2549 Current Status of the AMOEBA Polarizable Force Field Jay W. Ponder and Chuanjie Wu Department of Biochemistry and Molecular Biophysics,…

Documents Fundamentals of Semiconductor Physics and Devices

FUNDAMENTALS OF SEMICONDUCTOR PHYSICS AND DEVICES Rolf Enderlein ihmboldt-bhiuemity BerEin Universi?yof Sao Pauh NommJ.M. Horing stewwas Institute o f Technology Hoboken,…

Education ACTC 2011 poster

1. Empirical potentials for charge transfer excitationsJiahao Chen and Troy Van Voorhis, MIT ChemistryClassical models for charge fluctuations Results: ground and CT excitation…

Documents Growth of metallic nanowires assisted with a tip. Study of their physical properties. BAUD...

Slide 1Growth of metallic nanowires assisted with a tip. Study of their physical properties. BAUD Stéphanie Laboratoire de Physique Moléculaire, UMR CNRS 6624, Faculté…

Documents (105) Stability and evolution of nanostructure surfaces Brown University MRSEC For the first time,.....

Slide 1(105) Stability and evolution of nanostructure surfaces Brown University MRSEC For the first time, we have established a direct connection among surface energy, step…

Education Theoritical chemistry for_catalysis

1.Application of theoretical chemistry as a tool for understanding catalysis H. L. Janardhan Materials science division PPISR, Bangalore2. Outline Introduction Fundamental…

Technology Acta materialia 55 (2007) 4475–4487 ab initio titan

1. Acta Materialia 55 (2007) 4475–4487 www.elsevier.com/locate/actamat Theory-guided bottom-up design of b-titanium alloys as biomaterials based on first principles calculations:…

Documents Metal-Phosphine Bonding Revisited. @-Basicity, Pi- Acidity, And the Role of Phosphorus d Orbitals in...

Inorg. Chem. 1992, 31, 4391-4398 4391 Metal-Phosphine Bonding Revisited. @-Basicity,?r- Acidity, and the Role of Phosphorus d Orbitals in Zerovalent Metal-Phosphine Complexes…

Documents Acta Materialia 55 (2007) 4475–4487 Ab Initio Titan

1. Acta Materialia 55 (2007) 4475–4487 www.elsevier.com/locate/actamat Theory-guided bottom-up design of b-titanium alloys as biomaterials based on first principles calculations:…