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TU/e eindhoven university of technology / department of chemical engineering and chemistry Software and Internet Resources for Analytical Chemistry Jetse Reijenga Eindhoven University of Technology, Netherlands title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Communication CE literature search Software for parameter estimation Software for simulation Data analysis software Internet information resources
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title Things to consider first Freeware vs. Buyware DOS vs. Windows (Linux?) Demo vs. Hands-on Approximative vs. Accurately predictive Educational vs. Problem solving it is a means (tool), not a goal (aim)
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Communication tools use webspace to provide info use e-mail or group-mail consider chat (e.g. ICQ or MSN) discussion-web netmeeting public folders e-mail lists
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Analytical literature on CD-ROM 22899
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TU/e eindhoven university of technology / department of chemical engineering and chemistry CE literature data base d.perret@mds.qmw.qc.uk 6628
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Buffer Workshop mbello@zarak.com
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TU/e eindhoven university of technology / department of chemical engineering and chemistry MECC migration index prediction From: Yasushi Ishihama et al, Anal. Chem. 68(1996) 1028-1032
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TU/e eindhoven university of technology / department of chemical engineering and chemistry logP (octanol/water) sources Experimental values (literature) Website (http://esc.syrres.com/interkow) Software: ACD/logP (ACD/Labs) CLOGP (BioByte) K OW WIN (Syracuse) SciLogP (SciVision) AccuLogP (Microsimulations) ProLogP (CompuDrug)
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Comparison of two logP estimators
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Estimation software for pK a values
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title Different instrument “simulators” Interactive demo’s (Netlogo, Wingz,.....) Separaration Optimizers (ACD, Drylab,.....) Steady-state Simulators (Gaš, Reijenga,....) detector signal (s vs. t) Dynamic Simulators (Gaš, Reijenga,....) microscale, local distribution (c vs. x)
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Netlogo 2.0
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Wingz
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TU/e eindhoven university of technology / department of chemical engineering and chemistry ACD GC and LC
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TU/e eindhoven university of technology / department of chemical engineering and chemistry DryLab
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title Peakmaster 5.0
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title Cesar
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry CESight
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title Database
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Simul 4.0 gas@mail.natur.cuni.cz
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TU/e eindhoven university of technology / department of chemical engineering and chemistry title
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TU/e eindhoven university of technology / department of chemical engineering and chemistry Interesting weblinks.......................
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