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Computational chemistry
Results: 1931

#	Item
351	Journal of Biotechnology–23 Theoretical analysis of dynamic force spectroscopy experiments on ligand–receptor complexes M. Raible a , M. Evstigneev a , P. Reimann a,∗ , F.W. Bartels b , R. Ros b a Add to Reading List Source URL: roslab.physics.asu.edu Language: English - Date: 2010-01-04 11:29:45 Computational chemistry Classical mechanics Spectroscopy Force spectroscopy Molecular dynamics Fictitious force Force Constraint algorithm Physics Chemistry Science
352	2008.7 Unraveling the mysteries of molecules and extending their possibilities The aim of the Institute for Molecular Science is to investigate fundamental properties of molecules and molecular ［ORGANIZATION］ Add to Reading List Source URL: www.ims.ac.jp Language: English - Date: 2014-06-17 03:32:09 Computational chemistry Quantum chemistry Molecule Nuclear magnetic resonance Nanotechnology Molecular modelling Spectroscopy Molecular dynamics Inorganic chemistry Chemistry Science Theoretical chemistry
353	Computational Properties of Boolean Networks Add to Reading List Source URL: www.complex-systems.com Language: English - Date: 2013-03-26 14:35:01 English phonology Physical chemistry
354	http://www.ims.ac.jp Unraveling the mysteries of molecules and extending their possibilities The aim of the Institute for Molecular Science is to investigate fundamental properties of molecules and molecular Add to Reading List Source URL: www.ims.ac.jp Language: English - Date: 2014-06-17 03:32:10 Computational chemistry Quantum chemistry Molecule Nuclear magnetic resonance Molecular structure Spectroscopy Nanotechnology Molecular modelling Molecular dynamics Chemistry Science Theoretical chemistry
355	Microsoft PowerPoint - DG Cocrystal talk3.ppt Add to Reading List Source URL: www.cacheresearch.com Language: English - Date: 2014-08-08 11:37:43 Cocrystal Crystallography Solid-state chemistry Solubility Quantitative structure–activity relationship Chemistry Science Computational chemistry
356	f Solid State Physics Peter E. Blöchl Add to Reading List Source URL: orion.pt.tu-clausthal.de Language: English - Date: 2012-05-09 14:28:53 Computational chemistry Theoretical chemistry Atomic physics Chemical bonding Hartree–Fock method Atomic orbital Slater determinant Molecular orbital Spin contamination Chemistry Physics Quantum chemistry
357	A thermodynamically reversible generalization of Diffusion Limited Aggregation Raissa M. D’Souza Department of Physics, Massachusetts Institute of Technology, Cambridge, MassachusettsNorman H. Margolus Add to Reading List Source URL: people.csail.mit.edu Language: English Transport phenomena Statistical mechanics Thermodynamics Diffusion Computational physics Gas Lattice Boltzmann methods Diffusion-limited aggregation Heat equation Physics Chemistry Science
358	Pure &App/. Chern., Vol. 70, No. 4, pp, 1998. Printed in Great BritainIUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY Add to Reading List Source URL: old.iupac.org Language: English - Date: 2004-06-03 12:09:55 Quantum chemistry Ab initio quantum chemistry methods International Union of Pure and Applied Chemistry Hartree–Fock method Force field Post-Hartree–Fock Basis set MPEG-1 Audio Layer II Quantum chemistry composite methods Chemistry Computational chemistry Theoretical chemistry
359	SPECTRUM Living Matter in Crash Test: How Biomolecules Respond to Mechanical Forces Max Planck-CAS Research Group on Protein Mechanics and Evolution Shanghai-Heidelberg, – Add to Reading List Source URL: english.cas.cn Language: English - Date: 2014-12-19 11:28:46 Molecular biology Computational chemistry Materials science Spider silk Molecular dynamics Fiber Protein folding Silk Protein Chemistry Biology Molecular modelling
360	Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data Add to Reading List Source URL: www.jcheminf.com Language: English Computational chemistry Chemical nomenclature Encodings Chemical table file Mobile Molecular DataSheet ChemSpider International Chemical Identifier Simplified molecular-input line-entry specification PubChem Science Chemistry Cheminformatics

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