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Theoretical chemistry
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461	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:51 Molecular modelling Computational chemistry Theoretical chemistry CP2K Molecular dynamics Car–Parrinello method Force field Michele Parrinello Ab initio quantum chemistry methods Chemistry Science Density functional theory
462	Pure&Appl. Chem.,Vol. 69, No. 5, pp[removed], 1997. Printed in Great Britain[removed]IUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY Add to Reading List Source URL: pac.iupac.org Language: English - Date: 2004-06-03 16:45:17 Quantum chemistry Molecular physics Molecular modelling Molecular orbital Linear combination of atomic orbitals Gaussian orbital Force field Quantitative structure–activity relationship Drug design Chemistry Theoretical chemistry Computational chemistry
463	Microsoft Word - Flyer IV Colloquium John J. Rehr[removed]doc Add to Reading List Source URL: www.cfel.de Language: English - Date: 2013-05-15 18:52:00 Density functional theory Computational physics Computational chemistry Quantum chemistry Theoretical chemistry Time-dependent density functional theory SIESTA Optics FEFF8 Physics Chemistry Science
464	Abstract Submitted for the DAMOP10 Meeting of The American Physical Society Theoretical Description of Trapped Low-Dimensional Dipoles in the Strongly-Interacting Regime1 KRISTOFOR B. NYQUIST2 , Washington Add to Reading List Source URL: absimage.aps.org Language: English - Date: 2012-05-17 15:19:24 Dipole Thermodynamic equilibrium Chemistry Physics Electromagnetism
465	NChO 2008 ANNOTATED[removed]. Add to Reading List Source URL: www.instruction.greenriver.edu Language: English - Date: 2010-05-19 16:01:36 Inorganic solvents Quantum chemistry Chemical properties Stoichiometry Lone pair Electron Transition metal Ammonia Chemical bond Chemistry Chemical bonding Theoretical chemistry
466	Page 1 of 31 INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY CHEMISTRY AND HUMAN HEALTH DIVISION MEDICINAL CHEMISTRY SECTION Add to Reading List Source URL: www.iupac.org Language: English - Date: 2013-01-03 10:06:42 Medicinal chemistry Computational chemistry Theoretical chemistry Quantum chemistry Chemical database Quantitative structure–activity relationship Molecule Topological index Drug design Chemistry Science Cheminformatics
467	Synthesis of an Azo Dye and Dyeing of Wool 1. Theoretical Background Many plants yield dyestuffs that will dye wool or silk, but there are few of these that will dye cotton as well. Most will not dye synthetic fibres lik Add to Reading List Source URL: www.swisseduc.ch Language: English - Date: 2014-10-30 06:31:23 Diazonium compound Natural dye Conjugated system Azo coupling Azo compound Ultraviolet–visible spectroscopy Acid dye Chemistry Dyes Azo dyes
468	Microsoft Word - review[removed]rev.doc Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-08-28 17:27:51 Computational chemistry Molecular modelling Quantum chemistry Potential energy surface Ab initio quantum chemistry methods Force field Density functional theory Molecular mechanics Born–Oppenheimer approximation Chemistry Theoretical chemistry Intermolecular forces
469	Electron impact on K+: mechanisms for extreme ultraviolet submission BERRINGTON, K. A., NAKAZAKI, S. and MURAKAMI, Y. Available from Sheffield Hallam University Research Archive (SHURA) at: http://shura.shu.ac.uk/868/ Add to Reading List Source URL: shura.shu.ac.uk Language: English - Date: 2012-12-14 09:56:16 Atomic physics Molecular physics Chemical properties Theoretical chemistry Ionization energy Electron configuration Atomic orbital Electron Ionization Chemistry Physics Quantum chemistry
470	Efficient Grover search with Rydberg blockade Klaus Mølmer1 , Larry Isenhower2 and Mark Saffman2 1 Lundbeck Foundation Theoretical Center for Quantum System Research, Department of Physics and Astronomy, University of A Add to Reading List Source URL: qudev.ethz.ch Language: English - Date: 2011-02-28 10:25:07 Science Spectroscopy Atomic molecular and optical physics Rydberg state Quantum information science Energy level Excited state Qubit Quantum computer Chemistry Physics Atomic physics

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