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Density functional theory
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111	PDF Document Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-02-11 05:01:46 Matter Temperature Computational chemistry Superhard materials Melting point Crystal Molecular dynamics Density functional theory Tantalum carbide Chemistry Physics Phase transitions
112	BOOK REVIEWS COSMOCHEMISTRY 1 Before discussing meteorites, the authors provide a detailed account of presolar grains; this excellent Add to Reading List Source URL: www.elementsmagazine.org Language: English - Date: 2010-11-11 11:31:10 Science Planetary science Molecular modelling Astrochemistry Astrophysics Cosmochemistry Harold Y. McSween Density functional theory Molecular dynamics Chemistry Meteorites Astronomy
113	13th International Workshop on Computational Physics and Materials Science: Total Energy and Force MethodsJanuaryMiramare, Trieste, Italy) co-sponsored by: Add to Reading List Source URL: sdu.ictp.it Language: English - Date: 2000-04-04 01:54:03 Density functional theory Grand Prix de Futsal
114	Dr. Walter Kohn Dr. Walter Kohn is an Austrian-born American theoretical physicist, fleeing Vienna in 1939 on the famous Kindertransport. Dr. Walter Kohn was awarded the Nobel Prize in Chemistry on October 13, 1998 for Add to Reading List Source URL: thedanubememorial.org Language: English - Date: 2012-08-13 22:53:55 Chemistry University of California Santa Barbara Density functional theory Kavli Institute for Theoretical Physics Condensed matter physics Orbital-free density functional theory Balázs Győrffy Science Physics Walter Kohn
115	Couverture book abstracts MMS... Add to Reading List Source URL: mmsnf.org Language: English - Date: 2015-04-03 07:57:26 Nuclear materials Nuclear technology Nuclear fuels Non-stoichiometric compound Density functional theory G with stroke Uranium Plutonium Chemistry Actinides Chemical elements
116	Ab initio modeling of optoelectronic properties of semiconductors for photovoltaics J. Vidal1,2,4, L.M. Huang1, C. Domain1, P. Olsson1, J.F. Guillemoles1, M. Gatti2,4, S. Botti2,3,4 and L. Reining2,4 1 Add to Reading List Source URL: www.quantsol.org Language: English* - Date: 2010-05-11 12:45:48 Electronic band structure Density functional theory Semiconductor Ab initio quantum chemistry methods Band gap ACES Quantum chemistry Chemistry Theoretical chemistry Computational chemistry
117	ARTICLE Charge Transport Across Insulating Self-Assembled Monolayers: Non-equilibrium Approaches and Modeling To Relate Current Add to Reading List Source URL: gmwgroup.harvard.edu Language: English - Date: 2015-03-05 16:38:24 Physical organic chemistry Thin films Molecular physics Self-assembled monolayer Density functional theory Molecular orbital Conjugated system Electronic band structure Chemical bond Chemistry Nanotechnology Quantum chemistry
118	Thermodynamics and Phase Stability of UN by DFT Add to Reading List Source URL: www.ne.anl.gov Language: English - Date: 2013-10-28 18:41:16 Chemical engineering Thermodynamics Phase transitions Physical quantities Density functional theory Volume Phase diagram Heat capacity Enthalpy Physics Chemistry State functions
119	Thermodynamic Models of UO2 and UN Add to Reading List Source URL: www.ne.anl.gov Language: English - Date: 2013-10-28 18:15:35 Uranium compounds Nuclear materials Computational chemistry Nuclear fuels Density functional theory Uranium nitride Molecular dynamics Uranium dioxide Crystal Chemistry Physics Matter
120	Density Functional Theory for fission products transport in UO2 Add to Reading List Source URL: www.ne.anl.gov Language: English - Date: 2013-10-28 18:37:08 Orbital hybridisation Chemical bond Molecular orbital Atomic orbital Non-bonding orbital Uranium Crystal field theory Electron configuration Nuclear fuel Chemistry Chemical bonding Quantum chemistry

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