Journal: Computers & Chemistry

Volume 18, Issue 1

5 -- 11Ludovic Mouron, Stephane Grandjean, Jean-Jacques Legendre, Gérard Picard. A New Method for the Structural Modelling of Disordered Compounds - application to Molten NaCl
13 -- 20F. T. Chau, Kin Y. Tam. Application of the Fast Fourier Transform Method for Compression of Spectral Data Obtained From a Photodiode Array Spectrophotometer
21 -- 25Jaroslava Hlavácová, Peter Sevcík. Numerical Study of Concentration Fluctuations and Stirring Effects in a Batch Reactor
27 -- 32Alfonso Niño, Camelia Muñoz-Caro. Computation of Kinetic Constants for Large Range Internal Motions in Molecules
33 -- 43Hui-Hsien Chou, James A. Reggia, Rafael Navarro-Gonzalez, Jayoung Wu. An Extended Cellular Space Method for Simulating Autocatalytic Oligonucleotides
45 -- 54Tamás Turányi. Parameterization of Reaction Mechanisms Using Orthonormal Polynomials
55 -- 59Carlos Vega, Santiago Lago. A Fast Algorithm to Evaluate the Shortest Distance Between Rods
61 -- 71S. Bhattacharjee, Purnendu K. Dasgupta. Molecular Property Correlation in Alkanes with Geometric Volume
73 -- 79Bjørg N. Cyvin, Jon Brunvoll, Sven J. Cyvin. Isomers of Polycyclic Conjugated Hydrocarbons with Arbitrary Ring Sizes - Part II
81 -- 88B. G. Derendyaev, Konstantin S. Lebedev, S. A. Nekhoroshev, S. P. Kirshansky. Computer-aided Determination of Microfragmentary Composition of Organic Molecule by Mass-, and :::1:::H- and :::13:::C-NMR Spectra