Computers & Chemistry, Volume 3

Volume 3, Number 1, 1979

• Joseph Delhalle, D. Thelen, Jean-Marie André:
  B.I.P. an interactive graphic system for indexing energy bands of model polymers. 1-4
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• Milan Randic, Gregory M. Brissey, Robert B. Spencer, Charles L. Wilkins:
  Search for all self-avoiding paths graphs for molecular graphs. 5-14
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• W. E. Jones, J. S. Wasson:
  Graphics on ADM-3A CRT terminals. 15-18
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• Nels H. Mahle, John W. Ashley:
  Application of a correlation coefficient pattern recognition technique to low resolution mass spectra. 19-24
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• H. Katz, Roderich Walters, Ray L. Somorjai:
  Rotational dynamics of large molecules. 25-32
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• David N. J. White, Christopher Morrow:
  Cyclic tetrapeptides I: the calculated potential energy minima of cyclic tetrapeptides composed of small amino-acid residues. 33-48
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Volume 3, Number 2-4, 1979

• Shneior Lifson, Michael Levitt:
  On obtaining energy parameters from crystal structure data. 49-50
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• D. H. Faber, E. W. M. Rutten-Keulemans, Cornelis Altona:
  Computer plotting of contour maps: an improved method. 51-56
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• Kjeld Schaumburg, Jerzy Wasniewski, Zahari Zlatev:
  Solution of ordinary differential equations with time dependent coefficients. Development of a semiexplicit Runge-Kutta algorithm and application to a spectroscopic problem. 57-64
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• Joseph J. Brophy, John T. Morgan, Derek Nelson:
  Linear mass scale from a magnetic mass spectrometer using a microcomputer. 65-70
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• John F. Davis, Paul D. Schulte, Robert L. Hance:
  Multi-mass modification of a gas analyzer for gas kinetic studies. 71-72
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• T. A. Ford:
  Calculation of infrarpd band intensities by the dispersion method. 73-78
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• J. B. Collins, Andrew Streitwieser Jr., John M. McKelvey:
  "PROJ": A program for calculating the electron projection function. 79-82
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• Rémi Barone, A. Both, Michel Chanon, J. Metzger:
  Ordinateur et synthese organique: Approche analytique. Exemple de I'azaadamantane. 83-88
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• C. K. Ross, K. H. Lokan, G. G. Teather:
  Computer-based data acquisition system for pulse radiolysis studies. 89-94
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• Jean-Jacques Villenave, Claude Filliatre, Bernard Maillard:
  Calcul des paramétres cinetiques de reactions d'ordre 1 étudiés par microcalorimétrie différentielle non isotherme. 95-100
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• Jean-Jacques Villenave, Claude Filliatre, Bernard Maillard:
  Calcul des paramètres d'activation et des incertitudes sur leurs valeurs à partir des résultats d'études cinetiques de reactions chimiques. 101-106
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• Antal Lopata, Arpád lstván Kiss:
  A new iterative procedure for computation of atomic Cartesian coordinates. 107-112
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• J. English, S. Schachterle, S. P. Perone:
  A diskette-microprocessor emulator replacement for paper tape peripherals in an educational laboratory minicomputer system. 113-116
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• Carlo Maria Gramaccioll, Giuseppe Fillipini:
  A computer routine for-deriving a quotient group with any symmetry. 117-120
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• M. Bénard, M. Barry:
  Efficient evaluation of molecular integrals over s, p, d, f Gaussian basis sets. 121-124
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• Joseph R. Murdoch:
  Applications of constraints to general nonlinear squares calculations second order reversible secutive reactions. 125-134
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• D. H. Kirby, John R. Chipperfield, D. E. Webster:
  Real-time laboratory computing using Digico M16 basic. 135
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• W. Versichel, Herman J. Geise:
  Minicomputer adaptation of MlNDO/3. 136
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