Computers & Chemistry, Volume 8

Volume 8, Number 1, 1983

• Bruce L. Bush:
  Interactive modelling of enzyme-inhibitor complexes at merck macromolecular modeling graphics facility. 1-11
  
• S. Scott Zimmerman, Mark A. Larson:
  Chemical symbols and special characters on the apple microcomputer. 13-27
  
• Takashi Okada:
  Parameter and state estimation of kinetic and nonlinear dynamic systems. 29-37
  
• U. Haldna, A. Murshak:
  Test of Simonds' method in factor analysis by digital simulation models. 39-42
  
• Patrick Redington:
  G Matrix assembly and SCF iteration damping. 43-48
  
• J. J. Esperilla, A. López Piñeiro, F. J. Olivares del Valle:
  Intmol: Minimization of long range interactions as a function of intermolecular angular parameters. 49-57
  
• W. Linert, K. J. Stiglbrunner, P. Rechberger:
  Programmable calculator section : Numerical analysis of one-dimensional and cylindrical diffusion systems using a programmable calculator. 59-66
  
• Gary R. Day, R. D. Blake:
  Computer analysis and manipulation of DNA sequences. 67-73
  
• Steven Brumby:
  An account of two computer programs for the simulation of magnetic resonance spectra by the fast fourier transform method. 75-80
  

Volume 8, Number 2, 1984

• Aivars Celmi:
  Analysis of residuals from multidimensional model fitting. 81-89
  
• Jaroslaw Kostrowicki, Adam Liwo:
  DECFAM - A new computer oriented algorithm for the determination of equilibrium constants from potentionmetric and/or spectrophotometric measurements - I: Basic principles of the method and calculations of equilibrium concentrations. 91-99
  
• Jaroslaw Kostrowicki, Adam Liwo:
  DECFAM - A new computer oriented algorithm for the determination of equilibrium constants from potentiometric and/or spectrophotometric measurements - II: Methods based on analytical expressions. 101-105
  
• Jan V. Knop, Klaus Szymanski, L. Klasinc, Nenad Trinajstic:
  Computer enumeration of substituted polyhexes. 107-115
  
• Roberto Alfredo Moré:
  Using an HP-1000 computer to calculate the conformational energy of molecules by body's algorithm. 117-121
  
• J. E. House Jr.:
  An algorithm for computing dimerization constants for polar molecules. 123-126
  
• Giorgio Castellani, Raimondo Scordamaglia:
  A fast computer program for conformational analysis. 127-131
  
• R. Dorin:
  A computerized electrochemical data acquisition and control system. 133-137
  
• R. L. Brown:
  Modeling of axially symmetric flow reactors. 139-145
  
• Karl Lintner, Serge Fermandjian:
  Conformational energy calculation on a microcomputer. 147-150
  
• Takashi Okada:
  Effective programming for research: Development of software for KINDSIP. 151-155
  
• Gerardo Cisneros, Carlos F. Bunge:
  An improved computer program for eigenvectors and eigenvalues of large configuration interaction matrices using the algorithm of Davidson. 157-160
  
• Paolo Uguagliati, Alvise Benedetti, Stefano Enzo, Liliana Schiffini:
  Organometallic chemometrics: I. A minicomputer implementation of abstract factor analysis. 161-168
  
• T. G. M. van den Belt, H. Erkelens:
  A fast, low cost data acquisition system. 169-173
  
• Juan Manuel Madariaga, Adolfo Garcia:
  Applications of computers in the study of solution equilibria I LEHENA, a program for polynomial data fitting. 175-185
  
• Juan Manuel Madariaga, Adolfo Garcia:
  Application of computers in the study of solution equilibria II Complex-80, a program from known ionic equilibria. 187-191
  
• Adolfo Garcia, Juan Manuel Madariaga:
  Applications of computers in the study of solutions equilibria III Evaluation of some programs for known ionic equilibria. 193-199
  
• Ü. Haldna, A. Murshak:
  Estimation of the basicity constants of weak bases by the target testing method fo factor anaylysis. 201-204
  
• John F. Ogilvie:
  A monte-carlo approach to error propagation. 205-207
  
• Takahiro Suzuki, Masaru Ishida:
  A new hierarchical notation system and its application to the estimation of the standard enthalpy of formation. 209-211
  
• C. Mongay, V. Cerdá:
  Applications programs : A generalized calculation for preparation of buffer solutions of known ionic strength. 213-216
  
• Pierre Cayzergues, Constantin Georgoulis, Gilles Mathieu:
  Applications section : Desk top microcomputer evaluation of the rate constants of two competitive parallel second order reactions. 217-223
  
• Carl W. David:
  Voronoi Polyhedra and cleft recognition in aquated macromolecules. 225-226
  
• Michael Ramek:
  Comment on "HQRII: A fast diagonaliazation subroutine". 227-230
  
• DeLos F. DeTar:
  Progress in modelling and simulation: Edited by Francois E. Cellier, Academic Press, London, 1982. 231
  

Volume 8, Number 4, 1984

• Guy-Marie Côme, C. Muller, P. Y. Cunin, M. Griffiths:
  A linear chemical notation. 233-237
  
• H. Abe, W. Braun, T. Noguti, N. Go:
  Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins general recurrent equations. 239-247
  
• Michael D. Lowery, J. E. House Jr.:
  An algorithm for computing the Madelung constant for the sodium chloride lattice. 249-254
  
• P. Valko, Sandor Vajda:
  An extended ode solver for sensitivity calculations. 255-271
  
• Raymond M. Carman:
  Calculator programs for NMR ABX analyses. 273-276
  
• E. L. Varetti:
  Calculation of molecular inertial moments in an infrared data station. 277-280
  
• Bhalachandra L. Tembre, James Andrew McCammon:
  Ligand-receptor interactions. 281-283
  
• W. O. Milligan, D. F. Mullica, D. E. Pennington, C. K. C. Lok, D. W. J. Kwong:
  Application of nonlinear least squares analysis on three different consecutive, irreversible first order kinetic processes. 285-298
  
• Yoshiyuki Hase:
  Evaluation of the Teller-Redlich Product Rule for Non-linear X-Y-Z Molecules by a Programmable Calculator. 299-302
  
• Federico Morán, Francisco Montero:
  An algorithm to study the evolution and selection of auto replicative molecules. 303-307
  
• T. S. Hassan, A. H. El-Dhaher, H. Maarafie, H. Abou Soud, M. S. El-Ezaby:
  On-line processing of stopped-flow data for multiple kinetic reactions using a microprocessor-based system. 309-313
  

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