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Computational chemistry
Results: 1931

#	Item
881	A Perturbation Method for the 3D Finite Element Modeling of Electrostatically Driven MEMS Add to Reading List Source URL: www.mdpi.org Language: English - Date: 2008-02-19 04:00:27 Computational chemistry Perturbation theory RF MEMS Microelectromechanical systems Computational electromagnetics Electromagnetism Mathematical analysis Physics Science
882	PHYSICAL REVIEW A 73, 062706 2006 Doubly excited autoionizing states of H2 converging to the H„n = 2… + H„n = 2… limit Yulian V. Vanne and Alejandro Saenz AG Moderne Optik, Institut für Physik, Humboldt-Univ Add to Reading List Source URL: physics.bk.psu.edu Language: English - Date: 2006-06-08 14:53:40 Theoretical chemistry Computational chemistry Atomic physics Chemical bonding Atomic orbital Basis set Electron configuration Perturbation theory Configuration interaction Chemistry Physics Quantum chemistry
883	Fall[removed]CHEMISTRY 675 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201ÆFW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appointm Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:36 Molecular modelling Computational chemistry Protein structure Medicinal chemistry Bioinformatics Molecular dynamics Nuclear magnetic resonance spectroscopy Docking Structural genomics Chemistry Biology Science
884	JOURNAL OF GEOPHYSICAL RESEARCH, VOL. 107, NO. D22, 4620, doi:[removed]2001JD001591, 2002 Remote sensing from the infrared atmospheric sounding interferometer instrument 2. Simultaneous retrieval of temperature, water va Add to Reading List Source URL: www.lmd.jussieu.fr Language: English - Date: 2005-01-10 06:53:02 Computational neuroscience Environmental chemistry Atmospheric radiative transfer codes Principal component analysis Generalization error Atmospheric sounding Perceptron Overfitting Ozone Neural networks Statistics Science
885	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 09:01:30 Computational chemistry Basis set Density functional theory Gaussian function Atomic orbital Chemical bond Pseudopotential Matrix Molecular dynamics Chemistry Quantum chemistry Theoretical chemistry
886	Fall[removed]CHEMISTRY 675 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201FW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appoint Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:31 Molecular modelling Computational chemistry Protein structure Medicinal chemistry Bioinformatics Molecular dynamics Nuclear magnetic resonance spectroscopy Docking Structural genomics Chemistry Biology Science
887	Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform Dong Xu1,2, Yang Zhang1,2* 1 Center for Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, Michigan, United State Add to Reading List Source URL: zhanglab.ccmb.med.umich.edu Language: English - Date: 2009-12-16 16:06:00 Protein structure Intermolecular forces Molecular dynamics Accessible surface area Van der Waals surface Van der Waals radius Johannes Diderik van der Waals Implicit solvation Docking Chemistry Computational chemistry Molecular modelling
888	JOURNAL OF CHEMICAL PHYSICS VOLUME 118, NUMBER 2 8 JANUARY 2003 Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:36:35 Møller–Plesset perturbation theory Ab initio quantum chemistry methods Quantum chemistry composite methods Computational chemistry Theoretical chemistry Basis set
889	Physical Properties; a Critical Guide to Free Internet Resources Add to Reading List Source URL: www.acsu.buffalo.edu Language: English - Date: 2014-04-16 09:56:47 American Chemical Society Computational chemistry Documents CAS registry number Material safety data sheet Chemical substance Webbook Chemical Abstracts Service Organic compound Science Chemistry Chemical databases
890	Variable Grid Urban Airshed Modeling System (UAM-V, UAM-VPM) Reference Systems Applications International, 1999. User’s Guide to the Variable-Grid Urban Airshed Model (UAM-V), Systems Applications International, Inc./I Add to Reading List Source URL: www.epa.gov Language: English - Date: 2000-06-22 09:38:10 Pollutants Smog Air dispersion modeling Computational science Ozone depletion Air pollution Tropospheric ozone Computer simulation Ozone Pollution Chemistry Environment

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