A Hybrid Global Optimization Algorithm Involving Simplex and Inductive Search
ICCS '01 Proceedings of the International Conference on Computational Science-Part II
Computer-Assisted Learning of Chemical Experiments through a 3D Virtual Lab
ICCS '02 Proceedings of the International Conference on Computational Science-Part I
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From the Publisher:This unique presentation of computer software applications in chemistry goes beyond hardware interfacing and computer lab use. The book is organized by topic: general aspects of computers, solution of equations by numerical means, abstract (nonnumerical) chemical-structure information handling and molecular mechanics, and graphical displays of data and molecular structures. Each topic is supplemented frequently by FORTRAN programs which illustrate the ways in which computer software is applicable to the chemical field.