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Computational chemistry
Results: 1931

#	Item
421	Oellien et al. Journal of Cheminformatics 2011, 3(Suppl 1):I1 http://www.jcheminf.com/content/3/S1/I1 INTRODUCTION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Chemical education Gesellschaft Deutscher Chemiker Science and technology in Germany Computational chemistry Cheminformatics Johann Friedrich Gmelin Chemical Computing Group Science Chemistry Biology
422	Kostka Journal of Cheminformatics 2010, 2(Suppl 1):O13 http://www.jcheminf.com/content/2/S1/O13 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Computational chemistry Drug discovery Chemistry Central Computational science Science Cheminformatics Chemistry
423	Wassermann and Bajorath Journal of Cheminformatics 2012, 4(Suppl 1):O3 http://www.jcheminf.com/content/4/S1/O3 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Cheminformatics Drug discovery Computational chemistry Structure–activity relationship Chemical biology Chemical engineering Medicinal chemistry Science Chemistry
424	Microsoft Word - colloquium359 Add to Reading List Source URL: www.cat.hokudai.ac.jp Language: English - Date: 2015-02-19 07:53:55 Organometallic chemistry Chemist Computational chemistry Homogeneous catalysis Fellows of the Royal Society John Meurig Thomas Chemistry Catalysis Keith Hodgson
425	PHYSICAL REVIEW B 87, First-principles time-dependent quantum transport theory Yu Zhang, Shuguang Chen, and GuanHua Chen* Department of Chemistry, The University of Hong Kong, Hong Kong, China (Received 21 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2013-04-11 11:00:48 Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Chemistry Physics Computational chemistry
426	View Online / Journal Homepage / Table of Contents for this issue Chem Soc Rev Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 06:51:09 Computational chemistry Theoretical chemistry Quantum chemistry Matrix theory Matrices Matrix Hartree–Fock method Diagonalizable matrix Density functional theory Algebra Chemistry Linear algebra
427	Process Analytical Technology (PAT) & Quality by Design (QbD) Add to Reading List Source URL: www.camo.com Language: English - Date: 2009-05-19 08:44:00 Spectroscopy Statistics Analytical chemistry Cheminformatics The Unscrambler Chemometrics Process analytical technology Quality by Design Near-infrared spectroscopy Chemistry Computational chemistry Science
428	Assessment of Herbal Medicines by Chemometrics – Assisted Interpretation of FTIR Spectra Chew Oon Sim1, Mohammad Razak Hamdan1, * Zhari Ismail1 and Mohd Noor Ahmad2 1 Add to Reading List Source URL: www.camo.com Language: English - Date: 2006-07-14 06:46:16 Spectroscopy Computational chemistry Analytical chemistry Cheminformatics Chemometrics Infrared spectroscopy Fourier transform infrared spectroscopy The Unscrambler Absorption spectroscopy Chemistry Science Scientific method
429	c 2008 International Press COMMUNICATIONS IN INFORMATION AND SYSTEMS Vol. 8, No. 4, pp, 2008 Add to Reading List Source URL: www.ims.cuhk.edu.hk Language: English - Date: 2009-03-11 05:30:20 Hamiltonian mechanics Dynamical systems Computational chemistry Symplectic geometry Geodesic Lagrangian Partial differential equation Hamiltonian Differential form Algebra Mathematics Physics
430	View Online PCCP Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:34:56 Science Theoretical chemistry Nanowire Introduction to quantum mechanics Quantum mechanics QM/MM CP2K Chemistry Physics Computational chemistry

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