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Theoretical chemistry
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#	Item
631	PHS 540: Integrated Physics and Chemistry (updated for 2010) Catalog Description: The chemical and physical properties of matter and interactions. Emphasis on coordinating concepts of physic and chemistry. Evaluati Add to Reading List Source URL: modeling.asu.edu Language: English - Date: 2013-01-16 12:33:41 Quantum chemistry Theoretical chemistry Natural sciences Chemical properties Chemical bond Atomic theory Electron Molecule Proton Chemistry Physics Science
632	Identification of direct residue contacts in protein–protein interaction by message passing Martin Weigta,b,1, Robert A. Whitea,c,1, Hendrik Szurmantc, James A. Hochc,2, and Terence Hwaa,2 aCenter for Theoretical Biolo Add to Reading List Source URL: www.princeton.edu Language: English - Date: 2010-05-15 10:32:42 Chemistry Bioinformatics Histidine kinase STING Proteomics Protein–protein interaction prediction Biology Protein structure Protein domains
633	Article pubs.acs.org/JPCC Spectroscopy of Donor−π−Acceptor Porphyrins for Dye-Sensitized Solar Cells Ioannis Zegkinoglou,†,‡ Maria-Eleni Ragoussi,§ C. D. Pemmaraju,∥ Phillip S. Johnson,† David F. Pickup,⊥ Add to Reading List Source URL: uw.physics.wisc.edu Language: English - Date: 2013-08-14 15:33:23 Condensed matter physics Environmental chemistry Materials science Theoretical chemistry XANES Molecular orbital Crystal Porphyrin HOMO/LUMO Chemistry Science Quantum chemistry
634	THE JOURNAL OF CHEMICAL PHYSICS 124, 094101 共2006兲 High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule James S. Simsa兲 National Institute of Stand Add to Reading List Source URL: math.nist.gov Language: English - Date: 2006-03-08 13:21:40 Quantum chemistry Configuration interaction ACES Variational method Chemistry Computational chemistry Theoretical chemistry
635	CALIFORNIA STATE SCIENCE FAIR 2012 PROJECT SUMMARY Name(s) Jiho Park Add to Reading List Source URL: www.usc.edu Language: English - Date: 2012-04-30 03:35:32 Science Theoretical chemistry Molecular dynamics Dynamics CHARMM NAMD Bioinformatics Chemistry Computational chemistry Molecular modelling
636	PHYSICAL REVIEW A 80, 052507 共2009兲 Hylleraas-configuration-interaction study of the 2 2S ground state of neutral lithium and the first five excited 2S states James S. Sims National Institute of Standards and Techno Add to Reading List Source URL: math.nist.gov Language: English - Date: 2009-11-20 13:08:29 Atomic physics Theoretical chemistry Chemical bonding Atomic orbital Electron configuration Configuration interaction Basis set Chemistry Quantum chemistry Computational chemistry
637	OMI Algorithm Theoretical Basis Document Volume IV OMI Trace Gas Algorithms Add to Reading List Source URL: eospso.gsfc.nasa.gov Language: English - Date: 2012-10-26 15:44:13 Environmental chemistry Ozone depletion Ozone Monitoring Instrument Envisat Aura Atmosphere of Earth Ozone Sun Absorption spectroscopy Chemistry Spaceflight Earth
638	PDF Document Add to Reading List Source URL: uw.physics.wisc.edu Language: English - Date: 2010-12-17 14:19:16 Chemical bonding Molecular physics Theoretical chemistry Atomic physics HOMO/LUMO Crystal Molecular orbital XANES Electron configuration Chemistry Physics Quantum chemistry
639	STRUCTURES OF TWO ISOMERS OF NITROUS TETRAMER FROM THEIR INFRARED SPECTRA OXIDE J. NOROOZ OLIAEE, F. MIVEHVAR, M. DEHGHANY, Add to Reading List Source URL: www.chem.uni-wuppertal.de Language: English - Date: 2014-05-15 04:06:29 Science Theoretical chemistry Ab initio quantum chemistry methods Computational chemistry ACES Rotational spectroscopy Molecular geometry Stark effect Infrared spectroscopy Chemistry Spectroscopy Physics
640	Uncertainties in calculations of low-energy resonant electron collisions with diatomic molecules Karel Houfek Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešov Add to Reading List Source URL: www.cfa.harvard.edu Language: English - Date: 2014-06-11 11:54:10 Matter Molecule Electron Computational chemistry Spectroscopy Physics Chemistry Quantum electrodynamics

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