Computational Methods in Science and Technology

Computational Methods in Science and Technology
Volume 2
Only abstracts
AN OPTIMIZED PROTOCOL FOR IN VACUO MOLECULAR DYNAMICS SIMULATION AND TRAJECTORY ANALYSIS OF MODIFIED DNA DUPLEXES R. W. Adamiak, Ł. Bielecki A COMPARISON OF TWO DNA SEQUENCING METHODS J. Błażewicz, Ł. Gwóźdź, M. Kasprzak, M. Przysucha ORIENTATIONAL CORRELATIONS IN SUSPENSION OF RODLIKE COLLOIDAL MACROPARTICLES A. C. Branka DIELECTRIC POLARIZATION OF 2-PYRROLIDINONE MOLECULES IN BENZENE SOLUTION - A QUANTUM-CHEMICAL STUDY L. Gorb, J. Jadzyn, K. W. Wojciechowski SEMIEMPIRICAL CONFORMATIONAL ANALYSIS OF (R,R) - TARTARIC ACID, ITS DIMETHYL DIESTER, DIAMIDE AND N, N, N', N'-TETRAMETHYL DIAMIDE. Ab initio CALCULATIONS OF SOME MODEL COMPOUNDS M. Hoffmann, J. Rychlewski, U. Rychlewska SMOOTH PARTICLE APPLIED MECHANICS Wm. G. Hoover, C. G. Hoover, O. Kum, H. A. Posch, S. Hess A SIMULATED ANNEALING ALGORITHM FOR SOME CLASS OF DISCRETE-CONTINUOUS SCHEDULING PROBLEMS J. Józefowska, M. Mika, J. Węglarz APPLICATION OF EXPLICITLY CORRELATED GAUSSIAN FUNCTIONS TO LARGE SCALE CALCULATIONS ON SMALL ATOMS AND MOLECULES J. Komasa, W. Cencek, J. Rychlewski