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ORCIDComputers & Chemistry, Volume 14
Volume 14, Number 1, 1990
- Christian Jorde, Andreas Planitzer, Kurt Kalcher, Alfred Nitsch, Reinhold Pietsch:
Digitally-controlled timing devices - a simple smoking machine. 1-28 - Ivan Gutman, D. H. Rouvray:
New theorem for the wiener molecular branching index of trees with perfect matchings. 29-32 - Timothy Higgins, Rex Dark, Patrick McArdle, John Slmmie:
BRVCEL - A computer program for cell reduction and Bravais lattice determination. 33-36 - Alexis Carpenter, Jeffrey J. McCarthy, William C. Purdy:
An interface between the IBM PC/XT and the PAR model 273 potentiostat/galvanostat. 37-47 - I. B. C. Matheson:
A critical comparison of least absolute deviation fitting (robust) and least squares fitting: The importance of error distributions. 49-57 - Hiroatsu Matsuura:
MVIB: A system of programs for treating normal coordinates of chain molecules. 59-67 - F. T. Chau:
A pH measuring system using lotus measure. 69-73 - Jean Pierre Gastmans, Marcia Nasser Lopes, Maysa Furlan, Vicente de Paulo Emerenciano:
L'etude des signaux de 13C PAR microordinateur un programme simple et rapide. 75-78 - Denis K. C. Leung:
Data acquisition with the IBM PC/XT/AT Family - II. An application in chromatography. 79-104 - De Witt L. Sumners:
Image Analysis and Processing : Edited by V. Cantoni V.Di Gesú and S. Levialdi, Plenum Press, New York, 1988. ISBN 429012, 518 pages plus page Index. 106 - Robert Christopher Lacher:
Graph Theory and Topology in Chemistry: A collection of papers presented at an international conference held at the University of Georgia, Athens, U.S.A., 16-20 March 1987 (Studies in Physical and Theoretical Chemistry, 51), Elsevier, Amsterdam, Edited by R. B. King and D. H. Rouvry, 1987. ISBN 0-444-42882-8, 576 + xvii pages. 107
Volume 14, Number 2, 1990
- Reino Laatikainen, Kari Tuppurainen:
A general procedure for transformation of abstract factor solution to real one in presence of linear constraints. An application for chemical component analysis from NMR data. 109-126 - Bernd Speiser:
EASIEST - a program system for lectroanalytical imulation and parameter imation - I. Simulation of cyclic voltammetric and chronoamperometric experiments. 127-140 - David J. M. Park Jr.:
Robust solution of proper, matched sigma-pi multinomial equation systems. 141-156 - I. B. C. Matheson, R. J. De Sa:
Robust multivariate analysis applied to separation of components in absorption spectra. 157-164 - María N. Moreno
, José Luis González, M. Angeles del Arco, Julio Casado:
Determination of macroscopic thermodynamic ionization constants under conditions of variable ionic strength by an optimization algorithm. 165-168 - R. A. Abagyan, A. K. Mazur:
Conformational energy derivatives for polypeptides with flexible proline rings. 169-175 - Frank G. Lether, V. Shivpuri:
Chebyshev methods for the numerical evaluation of the reversible Randles-Sevcik function. 177-181 - David Edelson:
Numerical Methods with FORTRAN 77: A Practical Introduction : By L. V. Atkinson, P. J. Harley and J. D. Hudson, Addison-Wesley, Wokingham, U.K., 1989. ISBN 0-201-17430-8, 386 pp. + index and contents. 183 - David Edelson:
Computational Methods in the Chemical Sciences : By A. F. Carley and P. H. Morgan, Ellis Horwood, Chichester, U.K., 1989. ISBN 0-85312-746-8, 335 pp. including index and contents. 183 - David Edelson:
Algorithms for Chemists : By J. Zupan, Wiley, New York, 1989. ISBN 0-471-92173-4, 290 pp. + contents. 183-184 - DeLos F. DeTar:
Advanced Scientific Computing in BASIC with Applications in Chemistry, Biology and Pharmacology : By P. Valko and S. Vajda, Elsevier, Amsterdam, 1989. ISBN 0-444-87270-1, 318 pp. + index contents. 184-185 - Edwin F. Hilinski:
Microcomputers and Laboratory Instrumentation, Second Edition : By David J. Malcolme-Lawes, Plenum Press, New York, 1988. ISBN 0-306-42903-9, xi + 272 pp. 185-186 - Walter C. Ermler:
Methods in Computational Chemistry, Vol. 2, Edited by Stephen Wilson, Plenum Press, New York, 1988. ISBN 0-306-42946-2, 291 pp. + index and contents. 186-187
Volume 14, Number 3, 1990
- Ján Mikulás Lisý, A. Cholvadová, J. Kutej:
Multiple straight-line least-squares analysis with uncertainties in all variables. 189-192 - Ovanes G. Mekenyan, Stoyan Karabunarliev, Danail Bonchev:
The microcomputer OASIS system for predicting the biological activity of chemical compounds. 193-200 - Anuschirwan Peyman, Hans-Dieter Beckhaus:
Calculation of the entropy caused by hindered internal rotation - a mechanistic tool to explore the steric influence on the entropy of activation. 201-210 - Takahiro Suzuki, Masaru Ishida:
Computer-assisted prediction for industrial organic reactions based on a semi-formal approach. 211-217 - Terry W. Clark, James Andrew McCammon:
Parallelization of a molecular dynamics non-bonded force algorithm for MIMD architecture. 219-224 - D. D. Frantz, D. R. Herschbach:
Calculation of H2+ eigenparameters in arbitrary dimensions. 225-236 - Milan Randic, Borka Jerman-Blazic, Nenad Trinajstic:
Development of 3-dimensional molecular descriptors. 237-246 - S. Bhattacharjee, N. N. Chatterjee, Kamal K. Gupta:
GPACK-I - an application software for drawing calibration curves. 247-248 - Guosheng Huang, Zhihong Xu:
IPES - a program system for inorganic properties estimation and evaluation. 249-251 - T. Turányi:
KINAL - a program package for kinetic analysis of reaction mechanisms. 253-254 - Alice Chung-Phillips:
Dynamic data storage for theoretical chemistry programs. 255-256 - G. V. R. Chandramouli, S. Lalitha, Periyakarupan T. Manoharan:
Band fitting of ESCA peaks. 257-258 - DeLos F. DeTar:
FORTRAN and the Art of PC Programming : By Tim Ward and Eddie Bromhead, Wiley, Chichester, U.K., 1989. 259-260 - Eric V. Dose:
Computerized Multiple Input Chromatography : By M. Kaljurand and E. Kullik, Ellis Horwood, Chichester, U.K., 1989. ISBN 1-3142-5978, 219 p. + index. 260
Volume 14, Number 4, 1990
- Gerald E. Hite:
Invited general interest paper : Power and propulsion in space. 261-267 - Bruno Linder, Robert A. Kromhout:
Theory of nematic liquid crystals. 269-274 - De Witt L. Sumners:
Complexity measures for random knots. 275-279 - S. G. Whittington, C. E. Soteros, Esaias J. Janse van Rensburg:
Graphs and surfaces in regular lattices. 281-286 - Leo Klasinc, Lj. Pasa Tolic, H. Spiegl, Jan V. Knop, Sean P. McGlynn:
Electronic structure and long-range interaction in androstanes. 287-294 - D. S. Gaunt:
Scaling theory for the zeros of the Mayer cluster sums for the Ising lattice-gas. 295-298 - Borka Jerman-Blazic:
Computer networking for the European academic community: The EUREKA project cosine. 299-303 - I. M. Navon, F. B. Brown, Daniel H. Robertson:
A combined simulated annealing and quasi-Newton-like conjugate-gradient method for determining the structure of mixed argon-xenon clusters. 305-311 - Sonja Nikolic, Nenad Trinajstic, Douglas J. Klein:
The conjugated-circuit model. 313-322 - Krystyna T. Balinska, Louis V. Quintas:
The sequential generation of random f-graphs. Line maximal 2-, 3- and 4-graphs. 323-328 - David A. Micha, D. Srivastava:
The calculation of time-correlation functions for extended molecular systems. 329-334 - Tomislav P. Zivkovic:
Isoenergy surfaces of the generalized eigenvalue equation modified by the generalized parameter dependent low rank perturbation. 335-341 - Jelena Radic-Peric:
Thermodynamic study of air gas system in the presence of silicon and fluorine. 343-344 - Lj. Kolar-Anic, Dragomir Stanisavljev, G. Krnajski Belovljev, P. H. Peeters, S. Anic:
The first maximum of the iodide concentration in the Bray-Liebhafsky reaction. 345-347 - David Edelson:
MATH/CHEM/COMP 1988. Studies in Physical and Theoretical Chemistry, Vol. 63, Edited by A. Graovac. Elsevier, Amsterdam, 1989. ISBN 0-444-88009-7; 572 pp. (including index and contents). 349
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