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Density functional theory
Results: 328

#	Item
211	Microsoft PowerPoint - Feb 23- Richard Muller Add to Reading List Source URL: www.purdue.edu Language: English Theoretical chemistry Nanomaterials Quantum dot Quantum computer Quantum chemistry Density functional theory Algorithm Theoretical computer science Applied mathematics Chemistry
212	Zhang H, et al. Sci China Tech Sci January[removed]Vol.58 No.1 Add to Reading List Source URL: static-content.springer.com Language: English Density functional theory Hybrid functional
213	Professor Vincenzo Barone Laboratorio Virtuale IDEA - Scuola Normale Superiore di Pisa The following list of selected publications includes all scientific contributions since 1995 that have received more than 100 citatio Add to Reading List Source URL: hubmiur.pubblica.istruzione.it Language: English - Date: 2014-09-11 08:01:59 Computational chemistry Polarizable continuum model Chemical physics Density functional theory Quantum chemistry Chemical bond MOLCAS Force field Chemistry Science Theoretical chemistry
214	optappl_4402.book(Franiv.fm) Add to Reading List Source URL: www.if.pwr.edu.pl Language: English - Date: 2014-09-02 06:53:41 Crystal Density functional theory Density of states Permittivity Spectroscopy Electron Physics Condensed matter physics Electronic band structure
215	Jingsong Huang R&D Staff Nanomaterials Theory Institute Center for Nanophase Materials Sciences Oak Ridge National Laboratory[removed] Add to Reading List Source URL: cnms.ornl.gov Language: English - Date: 2013-07-19 13:47:49 Manhattan Project Oak Ridge National Laboratory Physics Density functional theory Chemist Organic chemistry Organic semiconductor Materials science Electronic band structure Electronics Chemistry Battelle Memorial Institute
216	PDF Document Add to Reading List Source URL: www.fscpm.org Language: English - Date: 2014-11-04 16:24:01 Application software Car–Parrinello molecular dynamics Density functional theory Science
217	VandeVondele_20141117.indd Add to Reading List Source URL: www.map.ethz.ch Language: English - Date: 2014-11-17 04:50:18 CP2K Density functional theory Emerging technologies Software Molecular dynamics Simulation Nanomaterials Chemistry Science Computational chemistry
218	Research report for a stay abroad at University at Buffalo from February to May 2014 Johannes H¨oller August 18, 2014 Abstract The excitation properties of small sodium clusters are investigated Add to Reading List Source URL: www.marshallplan.at Language: English - Date: 2014-11-22 19:26:52 Equations Schrödinger equation Jellium Connection Vehicle Identification Number Density functional theory Physics Quantum mechanics Partial differential equations
219	i Wolfgang Schattke and Ricardo Díez Muiño: for Atoms, Molecules, Clusters, and Solids — [removed] — page 273 — le-tex i Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2013-10-24 23:12:26 Chemical bonding Atomic physics Computational chemistry Theoretical chemistry Electronic correlation Electronic band structure Hartree–Fock method Electron Density functional theory Chemistry Physics Quantum chemistry
220	PDF Document Add to Reading List Source URL: www.dot.state.mn.us Language: English - Date: 2013-06-07 16:05:07

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