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Cheminformatics CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures. |
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Author: A. Drefahl J. Cheminf. 3:1 (January 7, 2011). doi: 10.1186/1758-2946-3-1 Additional file: www.jcheminf.com/imedia/1457626985030259/supp1.pdf |
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Thermodynamics Extraction and Application of Environmentally Relevant Chemical Information from the ThermoML Archive. |
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Author: A. Drefahl EnviroInfo 2007 21st International Conference on Informatics for Environmental Protection September 12-14, 2007, Warsaw, Poland. Pages 71 to 78 in Volume 1: Plenary and session papers. Shaker Verlag GmbH, D-52018 Aachen. pdf: www.axeleratio.com/axel/enviroinfo2007paper.pdf Slides and supplements: Aqueous Mixtures, Organic Salts, Molecular Polarizability |
| Note: Presented in session "Knowledge and Information Management" at EnviroInfo 2007 |
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Flammability and Materials Safety Quantitative Property-Property Relationships (QPPRs) and Molecular-Similarity Methods for Estimating Flash Points of Si-Organic and Ge-Organic Compounds |
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Author: A. Drefahl Proceedings of the iEMSs Third Biennial Meeting Summit on Environmental Modelling and Software. International Environmental Modelling and Software Society, University of Vermont, Burlington, USA, July 2006. pdf: www.axeleratio.com/axel/tfpaper.pdf | Slides and Data |
| Note: Presented in session S7 at iEMSs 2006 |
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Supramolecular Modeling Monte Carlo Simulation in Surfactant and Polymer Chemistry |
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Author: A. Drefahl Review created at the Institute of Physical Chemistry, TU Bergakademie Freiberg, 09599 Freiberg, Germany, 1999. Preface | Abstract | pdf: www.axeleratio.com/axel/reviewMCS.pdf |
| Note: The scenes of the prelude for this contribution happened to be in the inspiring university town of Santiniketan in West-Bengal, India. Details are given in the preface on page 3 of this review. |
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Monte Carlo Simulation Nanosystem Similarity: Modeling and Comparison of Amphiphilic Monolayers Adsorbed on Nanorough Surfaces |
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Authors: A. Drefahl, O. Seidel and H.-J. Mögel J. Chem. Inf. Comput. Sci. 1988, 38, pp. 1223-1231. doi: 10.1021/ci980062x |
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Monte Carlo Simulation Monolayer properties of amphiphilic molecules supported on nano-rough surfaces: a Monte Carlo study |
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Authors: A. Drefahl, O. Seidel and H.-J. Mögel Thin Solid Films 1009, 327-329, pp. 850-853. doi: 10.1016/S0040-6090(98)00776-7 |
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Monte Carlo Simulation A Monte Carlo study of bilayer formation in a lattice model |
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Authors: A. Drefahl, M. Wahab1, P. Schiller and H.-J. Mögel Thin Solid Films 1998, 327-329, pp. 846-849. doi: 10.1016/S0040-6090(98)00775-5 1Main author (wahab-mail@gmx.de) |
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Monte Carlo simulation Monte-Carlo-Simulation of Self-Assembled Surfactant Layers on Solid Surfaces |
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Authors: U. Reimer, O. Seidel, A. Drefahl and H.-J. Mögel In:Partikeltechnologie, Freiberger Forschungshefte: A 841 Grundstoff-Verfahrenstechnik 253-266 Freiberg (Germany), 1998. |
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Monte Carlo Simulation Theory and Structure of the Interaction of Monolayers adsorbed on Nanorough and Heterogeneous Surfaces |
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Authors: H.-J. Mögel, A. Drefahl and O. Seidel Report 07/1995-6/1998 (Sonderforschungsbereich 285), Technical University Freiberg (Germany), 1998. |
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Molecular Similarity Similarity-Based Search and Evaluation of Environmentally Relevant Properties for Organic Compounds in Combination with the Group Contribution Approach |
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Authors: A. Drefahl and M. Reinhard J. Chem. Inf. Comput. Sci. 1993, 33, pp. 886-895. doi: 10.1021/ci00016a011 |
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Environmental Chemistry Development of a Chemical Screening Protocol to Minimize Environmental Impact of Oil Production Chemicals Used Offshore |
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Authors: E. A. Vik, J. D. Bakke, B. Nesgaard, M. Reinhard, A. Drefahl and R. Aeschimann ChemNorth Sea Final Report, CNRD 21-1, Aquateam - Norwegian Water Technology Centre, Oslo (Norway), 1992. |
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Environmental Chemistry/QSARs Computer-aided Development and Testing of Procedures for Estimating Ecochemical and Toxicological Behavior of Chemical Compounds using Structural Parameters Volume II: QSAR-Literature, Data and Models |
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Authors: I. Ugi, M. Wochner and A. Drefahl UFOPLAN-Nr. 106-04-019: Umweltbundesamt, Bismarckplatz 1, 1000 Berlin 33 (West-Berlin), 1987. |
Last modified: October 27, 2011
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