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ORCIDComputers & Chemistry, Volume 16
Volume 16, Number 1, January 1992
- Adam Liwo
, Monika Tarnowska, Zbigniew Grzonka, Anna Tempczyk:
Modified Free-Wilson Method for the Analysis of Biological Activity Data. 1-9 - Leslaw K. Bieniasz:
ELSIM - A User-friendly PC Program for Electrochemical Kinetic Simulations. Version 1.0 - Solution of Integral Equations for Linear Scan and Cyclic Voltammetry. 11-14 - Deepak Kulkarni, Kiriakos N. Kutulakos, Peter Robinson:
Data Analysis Using Scale-space Filtering and Bayesian Probabilistic Reasoning. 15-23 - A. Gustavo González, Andreu Marquez, Javier Fernández Sanz:
An Iterative Algorithm for Consistent and Unbiased Estimation of Linear Regression Parameters When There Are Errors in Both the X and Y Variables. 25-27 - Samuel P. Kounaves, David Daojing Lu:
Acquisition, Processing, and Presentation of 3-D Chromatovoltammographic Data Using an IBM PS/2and Par Model 273Potentiostat. 29-33 - Daniel J. Gerth, Timothy Howell, Saul I. Shupack:
An Object-oriented Data Handling System for Spectral or Chromatographic Data Acquisition and Analysis. 35-39 - Takahiro Suzuki, Kazuhisa Ohtaguchi, Kozo Koide:
Application of Principal Components Analysis to Calculate Henry's Constant from Molecular Structure. 41-52 - Paul A. D. de Maine, Margaret M. de Maine:
A Computer Tool Kit for Chemists - III. Error Detection and Corrective Action Procedure. 53-60 - Wolfgang Linert, Peter Margl, István Lukovits:
Numerical Minimization Procedures in Molecular Mechanics: Structural Modelling of the Solvation of -Cyclodextrin. 61-69 - Daniel C. Michaels, Ae Ja Kim, Brannon C. Perilloux, David Barksdale, Leslie G. Butler:
Data Translation from Instrument Specific to ASCII. 71-72 - Richard A. Lewis:
Stable and Robust Solution of Trigonometric Equations. 73-75 - Vesa M. Helenius, Jouko E. Korppi-Tommola:
Pico: A Data Acquisition Program for Picosecond Laser Spectroscopy. 77-79
Volume 16, Number 2, April 1992
- Andrzej K. Konopka:
Sequences, Codes and Functions. 83-84 - Michael Gribskov:
The Language Metaphor in Sequence Analysis. 85-88 - Jean-Michel Claverie:
Sequence "Signals": Artifact or Reality?. 89-91 - Patrick Argos:
The Language of Protein Folding: Many Forked Tongues. 93-102 - Pavel A. Pevzner:
Nucleotide Sequences Versus Markov Models. 103-106 - Gary A. Churchill:
Hidden Markov Chains and the Analysis of Genome Structure. 107-115 - Peter Salamon, Andrzej K. Konopka:
A Maximum Entropy Principle for the Distribution of Local Complexity in Naturally Occurring Nucleotide Sequences. 117-124 - Susan M. Sell:
V(D)J Recombinase Precursors and Coding Structure of Signal Sequence Directed Rearrangement. 125-133 - George I. Bell:
Roles of Repetitive Sequences. 135-143 - Bonnie S. Dunbar:
Post-translational Modification of Proteins: Complexities of Analysis of Structure and Function. 145-152 - Danielle A. M. Konings:
Coexistence of Multiple Codes in Messenger RNA Molecules. 153-163 - Richard D. Blake, Samuel T. Hess:
The Pattern of Substitution Mutation in Different Nearest-neighbor Environments of the Human Genome. 165-170 - Paulien Hogeweg, Ben Hesper:
Evolutionary Dynamics and the Coding Structure of Sequences: Multiple Coding as a Consequence of Crossover and High Mutation Rates. 171-182 - Solomon W. Golomb:
Error-correcting Codes and the Genome Project. 183-186
Volume 16, Number 3, July 1992
- Lu Xu, Hua-Yun Wang, Qiang Su:
A Newly Proposed Molecular Topological Index for the Discrimination of Cis/trans Isomers and for the Studies of QSAR/QSPR. 187-194 - Lu Xu, Hua-Yun Wang, Qiang Su:
Correlation Analysis in Structure and Chromatographic Data of Organophosphorus Compounds By GAI. 195-199 - Peter Senn:
Determination of Atomic Sphere RADII for SCF-XSW Calculations. 201-205 - Yau-yuen Yeung, Czeslaw Rudowicz:
Ligand Field Analysis of the 3dN Ions At Orthorhombic or Higher Symmetry Sites. 207-216 - Patrick K. Redington:
MOLFIT: A Computer Program for Molecular Superposition. 217-222 - S. Bhattacharjee, A. C. Basak, Purnendu K. Dasgupta:
Molecular Property Correlation in Haloethanes with Geometric Volume. 223-228 - S. Bhattacharjee, Kamal K. Gupta:
A New Technique for Surface Optimization. 229-232 - Alessandro Ponti, Cesare Oliva:
Tensor: a Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data. 233-238 - F. T. Chau, Kui W. Mok:
Multiwavelength Analysis for a First-order Consecutive Reaction. 239-242 - Kenji Morikami, Takahisa Nakai, Akinori Kidera, Minoru Saito, Haruki Nakamura:
Presto(protein Engineering Simulator): A Vectorized Molecular Mechanics Program for Biopolymers. 243-248 - John S. Bowers, Robert K. Prud'homme, Raymond S. Farinato:
An Assessment of the Padé-Laplace Method for Transient Electric Birefringence Decay Analysis. 249-259 - Haidong Kim, Matthew J. Zabik:
Design and Evaluation of a Versatile Single Board Computer for Embedded Applications in Scientific Instrumentation. 261-263 - Annankoil R. Srinivasan, John D. Westbrook, Wilma K. Olson:
An Interactive FORTRAN Program for Three-dimensional Molecular Visualization. 265-266 - Alessandro Bagno:
A Program for Interconverting Concentration Units in Binary Mixtures. 267-268
Volume 16, Number 4, October 1992
- S. Boudhabhay, Bernard Ancian, Patrick Levoir, Roger Dubest, Jean Aubard:
Spectral Analysis of Quadrupolar NMR Signals by the Padé-Laplace Method. 271-276 - Anderson Coser Gaudio, Yuji Takahata:
Calculation of Molecular Surface Area with Numerical Factors. 277-284 - Yung-Ya Lin, Lian-Pin Hwang:
Efficient Computation of the Matrix Exponential Using Padé Approximation. 285-293 - Wim G. Pool, Jan W. De Leeuw, Bastiaan Van De Graaf:
Simulation of GC-MS Data: A Tool to Optimize Data Analysis and Instrumental Parameters. 295-301 - Gustavo Daniel Barrera, Alicia Batana:
Three Body Forces in the Lattice Dynamics of FCC Metals. 303-310 - Leslaw K. Bieniasz:
An Efficient Numerical Method of Solving the Abel Integral Equation for Cyclic Voltammetry. 311-317 - Josef Havel, Nuria Miralles, Ana Sastre, Manuel Aguilar:
CPLET Computer Program for Evaluation of Colligative Property Equilibrium Data. 319-323 - C. F. Weber, Edward C. Beahm, Jack S. Watson:
Optimal Determination of Rate Coefficients in Multiple-reaction Systems. 325-333 - Vladimir V. Salov:
Comments On Two Articles. 335-336 - Andrej Trkov, Nives Ogrinc, Ivan Kobal:
Modeling Surface Complexation At the Colloid/electrolyte Interface. 341-343 - Joseph Chrastil:
Calculation of the Constants Used for the Quantitative Determination of Molecular Weights and Composition of Polymers, Nucleotides And/or Peptides from Spectrophotometric Curves. 345-346
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