Feb 1, 1996 - Abstract | PDF w/ Links | Hi-Res PDF · Computational Chemistry in the First Organic Chemistry Course: Applications in an Active Learning...
Combinatorics of cluster enumeration. K. Balasubramanian. J. Chem. Inf. Comput. Sci. , 1992, 32 (1), pp 47â54. Publication Date: January 1992. ACS Legacy ...
See Web site for pricing information. Wolfram Research released Version 7.0 of Mathematica ... personal experience, one of the key strengths of this software is the ability to work with mathematical expressions far ... within a reasonably simple prog
In this paper, a simple theoretical approach to counting of substitution isomers is described. It is based on Pólya's theorem and on point groups as recently ...
May 30, 1998 - A Survey and New Results on Computer Enumeration of Polyhex and Fusene Hydrocarbons. Gunnar Brinkmann , Gilles Caporossi and Pierre Hansen. Journal of Chemical Information and Computer Sciences 2003 43 (3), 842-851 ... Code for polyomi
Addressing and routing in hexagonal networks with applications for tracking mobile users and connection rerouting in cellular networks. F. Garcia Nocetti , I.
Sep 12, 2016 - (47) The ease of use of this approach allows us to quickly create many fragment spaces from varying molecule sets specific to the target class examined. Enumeration ...... From cheminformatics to structure-based design: Web services an
Sep 12, 2016 - From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library. Stefan Bietz , Therese Inhester , Florian Lauck , Kai Sommer , Mathias M. von Behren , Rainer Fährrolfes , Florian Flach
Sep 12, 2016 - very large number of molecules, our algorithm uses file-based data structures instead of memory-based ones, thus overcoming the limitations of computer main memory. The resulting chemical library can be used as a starting point for com
47 thereby facilitating reduction of polyoxometallates of these types. .... Recent developments in the enumeration of isomers of gallium arsenide clusters of the ...
Sep 12, 2016 - For symmetric fragments with up to three linkers, the solution is the following: ... (a) Examples of symmetric fragments with more than three linkers. ..... for 88 DUD-E targets, and memory consumption graphs for two enumerations (PDF)
