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Computational chemistry
Results: 1931

#	Item
921	Book review of Joseph E. Earley (ed.): "Chemical Explanation: Characteristics Development, Autonomy", New York 2003 Add to Reading List Source URL: hyle.org Language: English - Date: 2013-03-20 14:48:53 Chemist Computational chemistry Philosophy of chemistry Alchemy Nature Science Chemistry Entropy
922	What’s a model Frances Buontempo Represents data • • Add to Reading List Source URL: accu.org Language: English - Date: 2011-11-27 04:08:24 Cheminformatics Computational chemistry Pharmacology Quantitative structure–activity relationship Sizeof Partition coefficient Chemistry Medicinal chemistry Science
923	SFBF44 Lunch Discussion Meeting [removed]Modeling and Simulations of Calcium Channels Stefania Monteleone Voltagegated calcium channels are involved in several diseases and the investigation Add to Reading List Source URL: www.uibk.ac.at Language: English - Date: 2014-05-23 01:38:44 Chemistry Ion channels Computational chemistry Molecular modelling Molecular dynamics Voltage-gated ion channel Voltage-dependent calcium channel Biology Electrophysiology Integral membrane proteins
924	Computational Models and Virtual Reality: New Perspectives of Research in Chemistry Add to Reading List Source URL: hyle.org Language: English - Date: 2013-03-20 19:42:30 Theoretical chemistry Mathematical chemistry Molecular modelling Topological index Molecule Molecular model Molecular graph Molecular dynamics Topology Chemistry Science Cheminformatics
925	week ending 22 JUNE 2012 PHYSICAL REVIEW LETTERS PRL 108, [removed]) Add to Reading List Source URL: www.physik.uni-augsburg.de Language: English - Date: 2012-06-26 04:37:23 Computational chemistry Classical mechanics Quantum chemistry Symplectic geometry Quantum harmonic oscillator Molecular dynamics Partition function Hamiltonian Nosé–Hoover thermostat Physics Chemistry Quantum mechanics
926	Are Orbitals Observable? Peter Mulder Abstract: In this paper I discuss the question whether orbitals can be observed or not. I argue that the answer depends on how the terms ‘orbitals’ and ‘observed’ are underst Add to Reading List Source URL: hyle.org Language: English - Date: 2013-03-20 15:09:15 Chemical bonding Atomic physics Theoretical chemistry Computational chemistry Atomic orbital Hartree–Fock method Electron configuration Quantum mechanics Electron Chemistry Physics Quantum chemistry
927	Microsoft Word - TheTool2a.doc Add to Reading List Source URL: www.oecd.org Language: English - Date: 2014-07-21 02:02:06 Computational chemistry Microsoft Excel Database Science Computational science Biological databases Cheminformatics Software Chemical database
928	Package ‘ALS’ February 19, 2015 Type Package Title multivariate curve resolution alternating least squares (MCR-ALS) Version 0.0.5 Add to Reading List Source URL: cran.fhcrc.org Language: English - Date: 2015-02-19 03:16:32 Abstract algebra Analytical chemistry Cheminformatics Chemometrics Computational chemistry Matrix Mass spectrometry Degrees of freedom Euclidean vector Algebra Mathematics Linear algebra
929	A priori justiﬁcation of approximations in quantum chemistry David Liao Robert J. Cave, Department of Chemistry, Advisor Add to Reading List Source URL: qbio.lookatphysics.com Language: English - Date: 2014-11-10 12:30:46 Theoretical chemistry Computational chemistry Quantum mechanics Chemical bonding Molecular orbital Hydrogen atom Atomic orbital Electron configuration Stationary state Chemistry Physics Quantum chemistry
930	Humboldt University of Berlin Add to Reading List Source URL: polymerscience.physik.hu-berlin.de Language: English - Date: 2012-12-10 15:10:25 Science Molecular physics Intermolecular forces Bioinformatics Molecular dynamics Force field Molecular geometry Molecular mechanics Molecule Chemistry Molecular modelling Computational chemistry

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