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Computational chemistry
Results: 1931

#	Item
311	Zero-temperature equation of state of solid 4He at low and high pressures Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-02-11 04:56:58 Crystal Diffusion Monte Carlo Potential energy Electron Ice Physics Computational chemistry Density functional theory
312	Spatial Organization and Correlations of Cell Nuclei in Brain Tumors Yang Jiao1, Hal Berman2, Tim-Rasmus Kiehl3, Salvatore Torquato4* 1 Physical Science in Oncology Center, Princeton Institute for the Science and Technol Add to Reading List Source URL: cherrypit.princeton.edu Language: English - Date: 2011-11-18 21:37:04 Biology Computational geometry Diagrams Discrete geometry Voronoi diagram Glioma Poisson distribution Stress Atomic nucleus Brain tumor Chemistry Physics
313	Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION Add to Reading List Source URL: old.iupac.org Language: English - Date: 2004-06-03 11:40:20 Computational chemistry Hartree–Fock method Crystal Molecular orbital theory Ab initio quantum chemistry methods Electronic correlation Coupled cluster Molecular orbital Full configuration interaction Chemistry Quantum chemistry Theoretical chemistry
314	Setting the standard in Chemoinformatics Editors Johann Gasteiger Add to Reading List Source URL: www2.chemie.uni-erlangen.de Language: English - Date: 2003-08-26 03:16:26 Medicinal chemistry Cheminformatics Computational chemistry Chemist Drug design Science Chemistry Drug discovery
315	Workshop on Nanoscience for Solar Energy ConversionOctoberDynamics on the Nanoscale: Time-domain ab initio studies of quantum dots and Add to Reading List Source URL: portal.ictp.it Language: English - Date: 2009-09-14 11:24:41 Quantum mechanics Theoretical chemistry Computational chemistry Molecular dynamics Molecular modelling Diabatic Carbon nanotube Chemistry Physics Quantum chemistry
316	OpenTox Creating a Framework for Predictive Toxicology The OpenTox Framework provides tools and services for the integration of toxicology data from various sources (public and confidential), for the Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2011-09-24 15:15:40 Animal rights Pharmacology Cheminformatics Computational chemistry Medicinal chemistry Quantitative structure–activity relationship In silico Animal testing ADAPA Science Scientific method Biology
317	1064 Goldschmidt Conference Abstracts Formation of a layered FeIII (hydr)oxide intercalated with Add to Reading List Source URL: goldschmidt.info Language: English - Date: 2011-09-22 13:35:03 Molecular modelling Actinide Periodic table Ab initio quantum chemistry methods Hydroxide Density functional theory Molecular dynamics Oxide Chemistry Computational chemistry Theoretical chemistry
318	CCCG 2014, Halifax, Nova Scotia, August 11–13, 2014 Computational Topology in Reconstruction, Mesh Generation, and Data Analysis Tamal K. Dey∗ Add to Reading List Source URL: www.cccg.ca Language: English - Date: 2014-07-27 19:15:14 General topology Computational topology Mathematical structures Computational geometry Topological space Topological data analysis Open set Topology Mathematics Chemistry
319	http://www.ims.ac.jp Add to Reading List Source URL: www.ims.ac.jp Language: English - Date: 2014-06-17 03:32:11 Computational chemistry Quantum chemistry Spectroscopy Nuclear magnetic resonance Molecule Molecular structure Molecular modelling Nanotechnology Molecular dynamics Chemistry Science Theoretical chemistry
320	Review1 of Handbook of Chemoinformatics Algorithms by Faulon, Bender, eds. CRC Press, pages, hardcover Review by Add to Reading List Source URL: www.cs.iastate.edu Language: English - Date: 2011-02-14 14:48:03 Pharmaceutical sciences Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Molecular descriptor Chemical database Topological index Chemical structure Chemistry Science Cheminformatics

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