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Quantum chemistry
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41	10 DFT-based Green Function Approach for Impurity Calculations Rudolf Zeller Institute for Advanced Simulation Forschungszentrum Julich GmbH Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2012-08-20 13:43:10 Physics Quantum mechanics Mathematical analysis Condensed matter physics Computational chemistry Crystal Density functional theory Electronic band structure Wannier function Degenerate energy levels Wave function Perturbation theory
42	Wavefunction, Inc. www.wavefun.com ODYSSEY Molecular Explorer AP® Chemistry — Release 5.3 — Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2016-05-03 13:46:23 Chemistry Nature Chemical bonding Quantum chemistry Atomic physics Chemical properties Intermolecular forces Molecule Chemical bond Electron Matter Covalent bond
43	Density Functional Theory for Emergents Add to Reading List Source URL: www.cond-mat.de Language: English - Date: 2013-09-03 08:41:19 Chemistry Physics Quantum mechanics Density functional theory Quantum chemistry Atomic physics Computational chemistry Theoretical chemistry HartreeFock method Jellium KohnSham equations Crystal
44	EDGE ARTICLE www.rsc.org/chemicalscience \| Chemical Science Slow photoelectron velocity-map imaging of the CnH (n ¼ 5–9) anions Etienne Garand,a Tara I. Yacovitch,a Jia Zhou,a Sean M. Sheehana and Daniel M. Neumark* Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English - Date: 2010-07-14 18:09:58 Chemistry Quantum chemistry Atomic physics Molecular physics Chemical bonding Spectroscopy Atomic orbital X-ray photoelectron spectroscopy Rotational spectroscopy Infrared spectroscopy Basis set Ionization energy
45	Microsoft Word - liu_porphyrin_SI.docx Add to Reading List Source URL: www.columbia.edu Language: English - Date: 2015-11-09 13:56:00 Chemistry Physics Quantum chemistry Nature Spectral theory Density functional theory Hybrid functional Spectrum Spin HOMO/LUMO
46	Paul Bracher Chem 30 – Section 2 Section Solution Set Bonding, MO Theory, Aromatic Substitution, and More Problem 1 (parts a-d original, part e based on Kirby’s Stereoelectronic Effects). Predict the major product fo Add to Reading List Source URL: www.paulbracher.com Language: English - Date: 2015-02-10 17:17:08 Chemistry Organic reactions Organic chemistry Quantum chemistry DielsAlder reaction Stereoelectronic effect HOMO/LUMO Alkene Cycloaddition Chemical reaction Antibonding molecular orbital 1 3-Dipolar cycloaddition
47	Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies Add to Reading List Source URL: ftp.theochem.rub.de Language: English - Date: 2004-02-24 03:00:44 Chemistry Quantum chemistry Theoretical chemistry Computational chemistry Computational physics Molecular modelling CarParrinello molecular dynamics Molecular dynamics Density functional theory BornOppenheimer approximation HartreeFock method Path integral molecular dynamics
48	RE S EAR CH \| R E P O R T S RE FE RENCES AND N OT ES 1. V. B. Braginskiĭ, Y. I. Vorontsov, Sov. Phys. Usp. 17, C. M. Caves, Phys. Rev. Lett. 45, 75–). Add to Reading List Source URL: park.chem.cornell.edu Language: English - Date: 2016-04-26 11:31:49 Materials science Chemistry Matter Monolayers Quantum phases Condensed matter physics Graphene Nanomaterials Hall effect
49	On the interpretation of wave function overlaps in quantum dots solidi status Add to Reading List Source URL: quantum-photonics.nbi.ku.dk Language: English - Date: 2011-12-18 12:16:06 Physics Quantum mechanics Elementary particles Quantum electrodynamics Quantum chemistry Emerging technologies Quantum electronics Quantum dot Wave function Wave Electron Photon
50	THE JOURNAL OF CHEMICAL PHYSICS 132, 031101 共2010兲 Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water Sergei D. Ivanov,1 Alexander Witt Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2010-01-18 04:42:32 Physics Chemistry Nature Quantum mechanics Path integral molecular dynamics Water model Infrared spectroscopy Redshift Heavy water