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ORCIDComputers & 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 - 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 - Carl 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 István 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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