Volume 25,
Number 1,
2001
Volume 25,
Number 2,
2001
- C. Chen, J. C. Wu:
Correlations Between Theoretical and Experimental Determination of Heat of Formation of Certain Aromatic Nitro Compounds.
117-124
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- Xiaoyun Zhang, Jianhua Qi, Ruisheng Zhang, Mancang Liu, Zhide Hu, Huifeng Xue, Bo Tao Fan:
Prediction of Programmed-temperature Retention Values of Naphthas by Wavelet Neural Networks.
125-133
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- Tatiana Y. Zakharian, Shoshanna R. Coon:
Evaluation of Spartan Semi-empirical Molecular Modeling Software for Calculations of Molecules on Surfaces: CO Adsorption on Ni(111).
135-144
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- Saul G. Jacchieri:
Stepwise Assembling of Polypeptide Chain Energy Distributions.
145-159
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- Anders Broe Bendtsen, Peter Glarborg, Kim Dam-Johansen:
Visualization Methods in Analysis of Detailed Chemical Kinetics Modelling.
161-170
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- Jaan Leis, Mati Karelson:
A QSPR Model for the Prediction of the Gas-phase Free Energies of Activation of Rotation Around the N---C(O) Bond.
171-176
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- Grzegorz Fic, Grzegorz Nowak:
Implementation of Similarity Model in the CSB System for Chemical Reaction Predictions.
177-186
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- Oliver Trapp, Volker Schurig:
ChromWin - A Computer Program for the Determination of Enantiomerization Barriers in Dynamic Chromatography.
187-195
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- Zhang Daren:
QSPR Studies of PCBs by the Combination of Genetic Algorithms and PLS Analysis.
197-204
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- Jörg Strutwolf, Dieter Britz:
High Order Spatial Discretisations in Electrochemical Digital Simulation. 2. Combination with the Extrapolation Algorithm.
205-214
Electronic Edition (link) BibTeX
Volume 25,
Number 3,
2001
- Shu Tao, Yi Wen, Aimin Long, Richard Dawson, Jun Cao, Fuliu Xu:
Simulation of Acid-base Condition and Copper Speciation in the Fish Gill Microenvironment.
215-222
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- William Kile Glunt, Tom L. Hayden:
Improved Convergence and Speed for the Distance Geometry Program APA to Determine Protein Structure.
223-230
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- Plamen N. Penchev, Kurt Varmuza:
Characteristic Substructures in Sets of Organic Compounds with Similar Infrared Spectra.
231-237
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- Chunsheng Yin, Yang Shen, Shushen Liu, Qingsheng Yin, Weimin Guo, Zhongxiao Pan:
Simultaneous Quantitative UV Spectrophotometric Determination of Multicomponents of Amino Acids using Linear Neural Network.
239-243
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- Krystian Kubica:
Monte Carlo Simulation Towards Ripple Phase Modelling.
245-250
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- Hongqing Cao, Jingxian Yu, Lishan Kang, Hanxi Yang, Xinping Ai:
Modeling and Prediction for Discharge Lifetime of Battery Systems using Hybrid Evolutionary Algorithms.
251-259
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- Tom E. Simos, Paul Stefan Williams:
Dissipative Exponentially-fitted Methods for the Numerical Solution of the Schrödinger Equation.
261-273
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- Tom E. Simos, Jesús Vigo-Aguiar:
A Modified Runge-Kutta Method with Phase-lag of Order Infinity for the Numerical Solution of the Schrödinger Equation and Related Problems.
275-281
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- S. Jyothi, Rajani R. Joshi:
Protein Structure Determination by Non-parametric Regression and Knowledge-based Constraints.
283-299
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- Jan Gorodkin, Bodil Søgaard, Hanne Bay, Hans Doll, Per Kølster, Søren Brunak:
Recognition of Environmental and Genetic Effects on Barley Phenolic Fingerprints by Neural Networks.
301-307
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- Andrew C. R. Martin:
Modelling Molecular Structures, 2nd Ed, by Alan Hinchliffe, Wiley, 2000, ISBN 0-471-48993-X.
309-310
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- M. James C. Crabbe:
Computational Analysis of Biochemical Systems, Eberhard O. Voit, Cambridge University Press, 2000. ISBN 0-521-78579-0 (Paperback); ISBN 0-521-78087-X (Hardback).
311
Electronic Edition (link) BibTeX
Volume 25,
Number 4,
2001
- Andrzej K. Konopka:
Towards Understanding Life Itself.
313-315
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- Donald C. Mikulecky:
Robert Rosen (1934-1998): A Snapshot of Biology's Newton.
317-327
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- Terri K. Attwood, Crispin J. Miller:
Which Craft Is Best in Bioinformatics?.
329-339
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- Donald C. Mikulecky:
The Emergence of Complexity: Science Coming of Age Or Science Growing Old?
341-348
Electronic Edition (link) BibTeX
- Wlodzimierz Klonowski:
Non-equilibrium Proteins.
349-368
Electronic Edition (link) BibTeX
- Donald C. Mikulecky:
Network Thermodynamics and Complexity: A Transition to Relational Systems Theory.
369-391
Electronic Edition (link) BibTeX
- Robert E. Ulanowicz:
Information Theory in Ecology.
393-399
Electronic Edition (link) BibTeX
- Jean-Noël Bacro, Jean-Paul Comet:
Sequence Alignment: An Approximation Law for the Z-value with Applications to Databank Scanning.
401-410
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- Won Kim, W. John Wilbur:
Amino Acid Residue Environments and Predictions of Residue Type.
411-422
Electronic Edition (link) BibTeX
- James W. Fickett:
Computational Molecular Biology: An Algorithmic Approach: Pavel A. Pevzner, the MIT Press, Cambridge, MA, August 2000, ISBN 0262161974, US $44.95, Hard Cover Approx. 320Pages.
423-424
Electronic Edition (link) BibTeX
- Jaap Heringa:
Post-genome Informatics: Minoru Kanehisa, Oxford University Press, Oxford, 2000, 148 pages.
425-426
Electronic Edition (link) BibTeX
- Terry Gaasterland:
Neural Networks and Genome Informatics: Cathy H. Wu and Jerry W. McLarty, Elsevier Science Ltd, July 2000, ISBN: 0080428002.
427-428
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Volume 25,
Number 5,
2001
- Maria Carolina Monard, Jorge A. O. Bruno, Joaquina Faour, Alicia Batana:
Pressure Dependence of Ionic Polarizabilities in Crystals.
429-438
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- P. C. Chen, Jicheng Wu, S. C. Chen:
Correlations Between Theoretical and Experimental Determination of Heat of Formation of Certain Aliphatic Nitro Compounds.
439-445
Electronic Edition (link) BibTeX
- Juan A. Poce-Fatou, René Bañares-Alcántara, J. J. Gallardo, Joaquín Martín:
Experimental Study of Precipitating Systems; Computerised Analysis of the Optical Transmittance and Associated Noise.
447-457
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- Agustina Guiberteau, Teresa Galeano Díaz, Nielene M. Mora, Francisco Salinas, Juan Manuel Ortíz Burgillos, Jean-Claude Viré:
Resolution by Polarographic Techniques of the Ternary Mixture of Captan, Captafol and Folpet by using PLS Calibration and Artificial Neuronal Networks.
459-473
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- Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan:
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks.
475-482
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- Wojciech Okrasinski, María Isabel Parra Arévalo, Francisco Cuadros Blázquez:
A New Numerical Procedure to Determine the VLE Curve.
483-488
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- Thy-Hou Lin, Jia-Jiunn Lin:
Three-dimensional Quantitative Structure-activity Relationship for Several Bioactive Peptides Searched by a Convex Hull-comparative Molecular Field Analysis Approach.
489-498
Electronic Edition (link) BibTeX
- Juan A. Poce-Fatou, René Bañares-Alcántara, Joaquín Martín:
Study of Precipitant Systems by Computerised Simulation. Influence of Optical Elements on the Noise Associated with the Transmittance.
499-508
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- Jörg Strutwolf, Dieter Britz:
Erratum to "High Order Spatial Discretisations in Electrochemical Digital Simulation. 2. Combination with the Extrapolation Algorithm": [Computers & Chemistry 25(2001) 205-214].
509
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- Jörg Strutwolf, Dieter Britz:
High Order Spatial Discretisations in Electrochemical Digital Simulation. 2. Combination with the Extrapolation Algorithm.
511-520
Electronic Edition (link) BibTeX
Volume 25,
Number 6,
2001
- Przemyslaw Sanecki:
A Numerical Modelling of Voltammetric Reduction of Substituted Iodobenzenes Reaction Series. a Relationship Between Reductions in the Consecutive-mode Multistep System and a Multicomponent System. Determination of the Potential Variation of the Elementary Charge Transfer Coefficient.
521-539
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- Chong-wei Chen, De-zhao Chen:
Prior-knowledge-based Feedforward Network Simulation of True Boiling Point Curve of Crude Oil.
541-550
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- Lijun Dong, Aixia Yan, Xingguo Chen, Hongping Xu, Zhide Hu:
Research and Prediction of Coordination Reactions Between CPA-mA and Some Metal Ions using Artificial Neural Networks.
551-558
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- Andrzej J. Goraczko, Jacek A. Szymura:
Multi-isotopic Modelling of Mass Spectra: A Procedure for Verification of the Fragmentation Hypothesis for the Organometallic and Coordination Compounds.
559-568
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- Sandi Klavzar, Aleksander Vesel, Petra Zigert, Ivan Gutman:
Binary Coding of Kekulé Structures of Catacondensed Benzenoid Hydrocarbons.
569-575
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- Gordon G. Cash:
Polynomial Expressions for the Hyper-Wiener Index of Extended Hydrocarbon Networks.
577-582
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- J. Rajesh, Kapil Gupta, Hari Shankar Kusumakar, Vaidyanathan K. Jayaraman, Bhaskar D. Kulkarni:
Dynamic Optimization of Chemical Processes using Ant Colony Framework.
583-595
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- Xuefeng Yan, Dezhao Chen, Yaqiu Chen, Shangxu Hu:
SOM Integrated with CCA for the Feature Map and Classification of Complex Chemical Patterns.
597-605
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Copyright © Sat May 16 23:52:16 2009
by Michael Ley (ley@uni-trier.de)
