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Computational chemistry
Results: 1931

#	Item
431	J. Phys. Chem. C 2008, 112, 16655–Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Dye-sensitized solar cells Ultraviolet radiation Crystal Time-dependent density functional theory Molecular orbital Titanium dioxide Chemistry Computational chemistry Quantum chemistry
432	egu_logo_without_circle_grey Add to Reading List Source URL: www.atmos-chem-phys.net Language: English - Date: 2014-01-10 09:47:29 Ozone depletion Air dispersion modeling Computational science Environmental chemistry Chemical transport model Climate model Unified Model Numerical weather prediction Atmospheric model Atmospheric sciences Meteorology Science
433	CAMO DriverEDITORIAL CONTACTS: Jennifer Lyons Symbion Systems, Inc Add to Reading List Source URL: www.gosymbion.com Language: English - Date: 2014-04-10 17:37:45 Spectroscopy The Unscrambler Multivariate statistics Process analytical technology Software development process Multivariate analysis Data analysis Statistics Science Computational chemistry
434	Rupp Journal of Cheminformatics 2011, 3(Suppl 1):O8 http://www.jcheminf.com/content/3/S1/O8 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Science Cheminformatics Chemistry Drug discovery Kernel methods Kernel Graph Statistics Computational chemistry Mathematics Graph theory
435	THE JOURNAL OF CHEMICAL PHYSICS 134, Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence Yan Alexander Wang,1,a) Chi Yung Yam,2 Ya Kun Chen,1 and GuanHua Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-08-31 09:27:57 Numerical linear algebra Computational chemistry Computational physics DIIS Hartree–Fock method Matrix Chemistry Quantum chemistry Physics
436	5.12 Lecture 8 VII. Overview of Chemical Reactions A. Chemical Reactions B. Classifications C. Radical Mechanism Add to Reading List Source URL: www.chemistry2011.org Language: English - Date: 2013-03-07 21:02:14 Quantum chemistry Theoretical chemistry Computational chemistry Molecular orbital diagram Molecular orbital Antibonding Chemical bond Electrophile Chemical reaction Chemistry Chemical bonding Physical organic chemistry
437	Using NIR Spectroscopy to Predict Weathered Wood Exposure Times Add to Reading List Source URL: www.fpl.fs.fed.us Language: English - Date: 2007-02-14 11:55:44 Physics Computational chemistry Near-infrared spectroscopy Wood preservation The Unscrambler Infrared Lumber Spectroscopy Electromagnetic radiation Wood
438	Newsletter to CAMO Software AS shareholders Q3 2012 Last known share price = NOK 0.80 per share st CAMO AS and CAMO Software AS were merged as per 1 of January 2011, and are now trading as ‘CAMO Software AS’. Add to Reading List Source URL: www.camo.com Language: English - Date: 2012-11-07 07:06:33 Computational chemistry Spectroscopy The Unscrambler
439	Enabling on-line classifications Unscrambler Classification Add to Reading List Source URL: www.camo.com Language: English - Date: 2011-04-20 08:20:16 The Unscrambler Multivariate statistics Multivariate analysis Machine learning Statistical classification Support vector machine Statistics Computational chemistry Spectroscopy
440	Bring data to life. www.camo.com “ Add to Reading List Source URL: www.camo.com Language: English - Date: 2014-09-02 02:17:11 Computational chemistry Spectroscopy The Unscrambler Chemometrics Multivariate analysis Near-infrared spectroscopy Computer-aided audit tools Visualization Analysis Statistics Science Chemistry

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