Advances in Mathematical Chemistry and Applications

Volume 1

by

Subhash C. Basak, Guillermo Restrepo, José L. Villaveces

DOI: 10.2174/97816080592871140101
eISBN: 978-1-60805-928-7, 2014
ISBN: 978-1-60805-929-4
ISSN: 2542-369X (Print)
ISSN: 2352-7668 (Online)



Indexed in: Book Citation Index, Science Edition, EBSCO.

“Advances in Mathematical Chemistry and Applications, Volume 1” highlights the emerging discipline of mathematical chemistry, or, more...[view complete introduction]
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MOLGEN 5.0, A Molecular Structure Generator

- Pp. 113-138 (26)

Ralf Gugisch, Adalbert Kerber, Axel Kohnert, Reinhard Laue, Markus Meringer, Christoph Rücker and Alfred Wassermann

Abstract

MOLGEN 5.x combines the efficiency of the molecular generator MOLGEN 3.5 and the flexibility of MOLGEN 4.x. To achieve this, the software was reimplemented based on a totally new concept. The most visible new features are fuzzy molecular formula input and explicit use of atom state patterns. We describe the version MOLGEN 5.0 of this new series.

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