Axel's Published Articles and Reports

CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures.
Author: A. Drefahl
J. Cheminf. 3:1 (January 7, 2011). doi: 10.1186/1758-2946-3-1
Additional file:

Extraction and Application of Environmentally Relevant Chemical Information from the ThermoML Archive.
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.
Slides and supplements: Aqueous Mixtures, Organic Salts, Molecular Polarizability
Note: Presented in session "Knowledge and Information Management" at EnviroInfo 2007

Flammability and Materials Safety
Quantitative Property-Property Relationships (QPPRs) and Molecular-Similarity Methods for Estimating Flash Points of Si-Organic and Ge-Organic Compounds
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: | Slides and Data
Note: Presented in session S7 at iEMSs 2006

Supramolecular Modeling
Monte Carlo Simulation in Surfactant and Polymer Chemistry
Author: A. Drefahl
Review created at the Institute of Physical Chemistry, TU Bergakademie Freiberg, 09599 Freiberg, Germany, 1999.
Preface | Abstract | 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.

Monte Carlo Simulation
Nanosystem Similarity: Modeling and Comparison of Amphiphilic Monolayers Adsorbed on Nanorough Surfaces
Authors: A. Drefahl, O. Seidel and H.-J. Mögel
J. Chem. Inf. Comput. Sci. 1988, 38, pp. 1223-1231. doi: 10.1021/ci980062x

Monte Carlo Simulation
Monolayer properties of amphiphilic molecules supported on nano-rough surfaces: a Monte Carlo study
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

Monte Carlo Simulation
A Monte Carlo study of bilayer formation in a lattice model
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 (

Monte Carlo simulation
Monte-Carlo-Simulation of Self-Assembled Surfactant Layers on Solid Surfaces
Authors: U. Reimer, O. Seidel, A. Drefahl and H.-J. Mögel
In:Partikeltechnologie, Freiberger Forschungshefte: A 841 Grundstoff-Verfahrenstechnik 253-266 Freiberg (Germany), 1998.

Monte Carlo Simulation
Theory and Structure of the Interaction of Monolayers adsorbed on Nanorough and Heterogeneous Surfaces
Authors: H.-J. Mögel, A. Drefahl and O. Seidel
Report 07/1995-6/1998 (Sonderforschungsbereich 285),
Technical University Freiberg (Germany), 1998.

Molecular Similarity
Similarity-Based Search and Evaluation of Environmentally Relevant Properties for Organic Compounds in Combination with the Group Contribution Approach
Authors: A. Drefahl and M. Reinhard
J. Chem. Inf. Comput. Sci. 1993, 33, pp. 886-895. doi: 10.1021/ci00016a011

Environmental Chemistry
Development of a Chemical Screening Protocol to Minimize Environmental Impact of Oil Production Chemicals Used Offshore
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.

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
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