MOLGEN 5.0, a Molecular Structure Generator

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

doi:10.2174/9781608059287114010010

MOLGEN 5.0, a Molecular Structure Generator

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

Research output: Contributions to collected editions/works › Contributions to collected editions/anthologies › Research › peer-review

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.

Original language	English
Title of host publication	Advances in Mathematical Chemistry and Applications
Editors	Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Number of pages	26
Volume	1
Place of Publication	Sharjah
Publisher	Bentham Science Publishers B.V.
Publication date	2014
Pages	113-138
ISBN (Print)	978-1-60805-929-4
ISBN (Electronic)	978-1-60805-928-7
DOIs	https://doi.org/10.2174/9781608059287114010010
Publication status	Published - 2014

Research areas and keywords

Chemistry
Mathematics

Access to Document

10.2174/9781608059287114010010

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Gugisch, R., Kerber, A., Kohnert, A., Laue, R., Meringer, M., Rücker, C., & Wassermann, A. (2014). MOLGEN 5.0, a Molecular Structure Generator. In S. C. Basak, G. Restrepo, & J. L. Villaveces (Eds.), Advances in Mathematical Chemistry and Applications (Vol. 1, pp. 113-138). (Advances in Mathematical Chemistry and Applications; Vol. 1). Bentham Science Publishers B.V.. https://doi.org/10.2174/9781608059287114010010

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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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author = "Ralf Gugisch and Adalbert Kerber and Axel Kohnert and Reinhard Laue and Markus Meringer and Christoph R{\"u}cker and Alfred Wassermann",

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Gugisch, R, Kerber, A, Kohnert, A, Laue, R, Meringer, M, Rücker, C & Wassermann, A 2014, MOLGEN 5.0, a Molecular Structure Generator. in SC Basak, G Restrepo & JL Villaveces (eds), Advances in Mathematical Chemistry and Applications. vol. 1, Advances in Mathematical Chemistry and Applications, vol. 1, Bentham Science Publishers B.V., Sharjah, pp. 113-138. https://doi.org/10.2174/9781608059287114010010

MOLGEN 5.0, a Molecular Structure Generator. / Gugisch, Ralf ; Kerber, Adalbert; Kohnert, Axel et al.
Advances in Mathematical Chemistry and Applications. ed. / Subhash C. Basak; Guillermo Restrepo; José L. Villaveces. Vol. 1 Sharjah: Bentham Science Publishers B.V., 2014. p. 113-138 (Advances in Mathematical Chemistry and Applications; Vol. 1).

Research output: Contributions to collected editions/works › Contributions to collected editions/anthologies › Research › peer-review

TY - CHAP

T1 - MOLGEN 5.0, a Molecular Structure Generator

AU - Gugisch, Ralf

AU - Kerber, Adalbert

AU - Kohnert, Axel

AU - Laue, Reinhard

AU - Meringer, Markus

AU - Rücker, Christoph

AU - Wassermann, Alfred

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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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KW - MOLGEN

KW - Mathematics

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DO - 10.2174/9781608059287114010010

M3 - Contributions to collected editions/anthologies

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T3 - Advances in Mathematical Chemistry and Applications

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BT - Advances in Mathematical Chemistry and Applications

A2 - Basak, Subhash C.

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A2 - Villaveces, José L.

PB - Bentham Science Publishers B.V.

CY - Sharjah

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Gugisch R, Kerber A, Kohnert A, Laue R, Meringer M, Rücker C et al. MOLGEN 5.0, a Molecular Structure Generator. In Basak SC, Restrepo G, Villaveces JL, editors, Advances in Mathematical Chemistry and Applications. Vol. 1. Sharjah: Bentham Science Publishers B.V. 2014. p. 113-138. (Advances in Mathematical Chemistry and Applications). doi: 10.2174/9781608059287114010010

MOLGEN 5.0, a Molecular Structure Generator

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