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
- Milan Randic, Gregory M. Brissey, Robert B. Spencer, Charles L. Wilkins:
Search for all self-avoiding paths graphs for molecular graphs.
5-14
- W. E. Jones, J. S. Wasson:
Graphics on ADM-3A CRT terminals.
15-18
- Nels H. Mahle, John W. Ashley:
Application of a correlation coefficient pattern recognition technique to low resolution mass spectra.
19-24
- H. Katz, Roderich Walters, Ray L. Somorjai:
Rotational dynamics of large molecules.
25-32
- 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
Volume 3,
Number 2-4,
1979
- Shneior Lifson, Michael Levitt:
On obtaining energy parameters from crystal structure data.
49-50
- D. H. Faber, E. W. M. Rutten-Keulemans, Cornelis Altona:
Computer plotting of contour maps: an improved method.
51-56
- 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
- Joseph J. Brophy, John T. Morgan, Derek Nelson:
Linear mass scale from a magnetic mass spectrometer using a microcomputer.
65-70
- John F. Davis, Paul D. Schulte, Robert L. Hance:
Multi-mass modification of a gas analyzer for gas kinetic studies.
71-72
- T. A. Ford:
Calculation of infrarpd band intensities by the dispersion method.
73-78
- J. B. Collins, Andrew Streitwieser Jr., John M. McKelvey:
"PROJ": A program for calculating the electron projection function.
79-82
- Rémi Barone, A. Both, Michel Chanon, J. Metzger:
Ordinateur et synthese organique: Approche analytique. Exemple de I'azaadamantane.
83-88
- C. K. Ross, K. H. Lokan, G. G. Teather:
Computer-based data acquisition system for pulse radiolysis studies.
89-94
- Jean-Jacques Villenave, Claude Filliatre, Bernard Maillard:
Calcul des paramétres cinetiques de reactions d'ordre 1 étudiés par microcalorimétrie différentielle non isotherme.
95-100
- 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
- Antal Lopata, Arpád lstván Kiss:
A new iterative procedure for computation of atomic Cartesian coordinates.
107-112
- J. English, S. Schachterle, S. P. Perone:
A diskette-microprocessor emulator replacement for paper tape peripherals in an educational laboratory minicomputer system.
113-116
- Carlo Maria Gramaccioll, Giuseppe Fillipini:
A computer routine for-deriving a quotient group with any symmetry.
117-120
- M. Bénard, M. Barry:
Efficient evaluation of molecular integrals over s, p, d, f Gaussian basis sets.
121-124
- Joseph R. Murdoch:
Applications of constraints to general nonlinear squares calculations second order reversible secutive reactions.
125-134
- D. H. Kirby, John R. Chipperfield, D. E. Webster:
Real-time laboratory computing using Digico M16 basic.
135
- W. Versichel, Herman J. Geise:
Minicomputer adaptation of MlNDO/3.
136
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