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ORCIDComputers & Chemistry, Volume 4
Volume 4, Number 1, 1980
- Kjeld Schaumburg, Jerzy Wasniewski, Zahari Zlatev
:
The use of sparse matrix technique in the numerical integration of stiff systems of linear ordinary differential equations. 1-12 - Kjeld Schaumburg, Jerzy Wasniewski, Zahari Zlatev:
Classification of the systems of ordinary differential equations and practical aspects in the numerical integration of large systems. 13-18 - W. S. Lindsay, J. B. Justice, John Salamone:
Simulation studies of in viva electrochemistry. 19-26 - Milan Randic, Gregory M. Brissey, Robert B. Spencer, Charles L. Wilkins:
Use of self-avoiding paths for characterization of molecular graphs with multiple bonds. 27-44 - A. M. Bobst, Tuhin K. Sinha, P. W. Langemeier, R. L. Prairie:
Digital analysis of ESR spectra of spin labeled nucleic acid- systems. 45-50 - David D. Clark, Sheldon M. Schuster:
A microcomputer assisted stopped-flow apparatus. 51-53 - F. James Holler, S. R. Crouch, Christine G. Enke:
Software cursor algorithm for interactive graphics. 54
Volume 4, Number 2, 1980
- Jacques Weber, Roger Lacroix, Gerhard Wanner:
The eigenvalue problem in configuration inteaction calculations: A computer program. based on a new derivation of the algorithm of Davidson. 55-60 - P. Rechberger, Wolfgang Linert:
Analyzing electrolytic conductivity data with a programmable calculator. 61-68 - David Hall, Paul John Lyons:
An appraisal of thi applicability to molecular packing analysis of some global minimisation techniques. 69-74 - David D. Clark, Sheldon M. Schuster:
Microcomputer manipulation and graphic display of molecular structures-l. introduction. 75-78 - David D. Clark, Sheldon M. Schuster:
Microcomputer manipulation and graphic display of molecular structures-Ii. File structure and maintenance. 79-82 - David D. Clark, Sheldon M. Schuster:
Microcomputer manipulation and graphic display of molecular structures-ill. Display. 83-86 - Zahari Zlatev, Kjeld Schaumburg, Jerzy Wasniewski:
Implementation of an iterative refinement option in a code for large and sparse systems. 87-100
Volume 4, Number 3-4, 1980
- Fritz S. Allen, Douglas R. C. Priore:
An example of the utility of linear programming- II. Nonlinear application. 103-106 - John M. Kelly, E. F. Meyer Jr.:
Storage and retrieval of nucleic acid sequence data. 107-112 - J. Dillen, Herman J. Geise:
A computer routine for the calculation of Cartesian coordinates of seven membered ring systems. 113-116 - Walter N. Trump:
Comparison of the Antoine equation and a 3-term Chebyshev equation for correlation of vapor pressures. 117-122 - S. K. Silber, R. A. Deans, R. A. Geanangel:
A comparison of the simplex and Gauss iterative, algorithms for curve fitting in Mössbauer spectra. 123-130 - Peter Borrell:
The analysis of kinetic results from discharge flow/shock tube experiments with interactive computer graphics. 131-136 - A. Laganaà:
Potential surface graphical study for chemical reactions. 137-144 - Manfred Schrey:
Analysis of high resolution NMR spectra using a minicomputer. 145-148 - Jean A. Musso:
A three-dimensional perspective plotting routine (application to molecules). 149-162 - J. E. Riley Jr.:
An interface for equipment control by decoding ASCII characters. 163-164 - W. Andrzej Sokalski:
Evaluation of molecular Cartesian coordinates by a programmable calculator. 165
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