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Computational chemistry
Results: 1931

#	Item
281	3D – Creating and Displaying 3D Models Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2012-07-27 17:37:34 Theoretical chemistry Molecular physics Computational chemistry Spectroscopy Nuclear magnetic resonance spectroscopy Spartan Nuclear magnetic resonance Introduction to quantum mechanics Electron configuration Chemistry Physics Quantum chemistry
282	TITLE Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations INVENTORS Walter Rocchia Add to Reading List Source URL: www.iit.it Language: English - Date: 2015-02-04 04:04:11 Computational chemistry Molecular modelling Cell signaling Chemical bonding Molecular dynamics Ligand Kinetics Chemical kinetics Chemistry Biology Protein structure
283	Ertl Journal of Cheminformatics 2014, 6(Suppl 1):O4 http://www.jcheminf.com/content/6/S1/O4 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Chemistry Computational science Chemical space Chemogenomics Chemistry Central Visualization Science Computational chemistry Cheminformatics
284	Lecture Course within the International Max Planck Research School “Complex Surfaces in Materials Science” “Group theory - an introductory course with applications in molecular and solid state physics” Add to Reading List Source URL: w0.rz-berlin.mpg.de Language: English - Date: 2012-04-17 07:33:45 Chemical bonding Theoretical chemistry Molecular physics Computational chemistry Molecular orbital Electronic band structure Symmetry Atomic orbital Quantum mechanics Chemistry Physics Quantum chemistry
285	P2.26 Computational biomarker models to predict response to lung cancer treatments from combined molecular data M. Le Morvan, M. del Pilar Schneider, M. Guergova-Kuras Ariana Pharmaceuticals SA, 28 rue du Docteur Finlay Add to Reading List Source URL: www.winsymposium.org Language: English - Date: 2014-10-06 16:46:25 Organofluorides Amines Quinazolines KRAS Gefitinib The Cancer Genome Atlas Somatic evolution in cancer Lung cancer Gemcitabine Medicine Oncology Chemistry
286	Simulation of macrosegregation with mesosegregates in binary metallic casts by a meshless method G. Kosec1,2, B. Šarler2,3,4 1 Add to Reading List Source URL: www-e6.ijs.si Language: English - Date: 2013-12-24 04:02:44 Computational fluid dynamics Metallurgy Differential equations Casting Jewellery making Upwind scheme Directional solidification Collocation method Partial differential equation Calculus Chemistry Mathematical analysis
287	PDF Document Add to Reading List Source URL: geofizika-journal.gfz.hr Language: English - Date: 2010-01-28 10:25:27 Oceanography Chemical oceanography Oxygen Aquatic ecology Computational science Hypoxia Numerical weather prediction Meteorology Biogeochemistry Chemistry Science Nature
288	Article pubs.acs.org/biochemistry Experimental and Computational Investigations of Oxygen Reactivity in a Heme and Tyrosyl Radical-Containing Fatty Acid α-(Di)oxygenase Add to Reading List Source URL: pages.jh.edu Language: English - Date: 2011-11-28 19:51:59 Enzymes Lipoxygenase Radical PTGS2 Hydrogen Proton-coupled electron transfer Chemical reaction Acid O2 Chemistry Cations Eicosanoids
289	Computational Methods Predict Thermochemistry and Kinetics of Biomass Derivatives on Transition Metals This research was conducted by the groups of Dion Vlachos, Jingguang Chen and Mark Barteau at the University of Delaw Add to Reading List Source URL: www.efrc.udel.edu Language: English - Date: 2013-11-05 12:37:03 Glycerol Ethylene Chemistry Matter Density functional theory
290	T h e o r e t i c a l a n d C o m p u tat i o n a l N a n o s c i e n c e s Led by ICREA Prof. Stephan Roche, the Theoretical and Computational Nanosciences Group theoretically explores exotic quantum transport phenomen Add to Reading List Source URL: www.icn.cat Language: English - Date: 2011-06-28 06:15:13 Chemistry Graphene Carbon nanotube Quantum decoherence Molecular dynamics Spin Topological insulator Sankar Das Sarma Physics Emerging technologies Quantum mechanics

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