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

Publikation: Beiträge in Sammelwerken › Aufsätze in Sammelwerken › Forschung › Begutachtung

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.

Originalsprache	Englisch
Titel	Advances in Mathematical Chemistry and Applications
Redakteure/-innen	Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Seitenumfang	26
Band	1
Erscheinungsort	Sharjah
Herausgeber (Verlag)	Bentham Science Publishers B.V.
Erscheinungsdatum	2014
Seiten	113-138
ISBN (Print)	978-1-60805-929-4
ISBN (elektronisch)	978-1-60805-928-7
DOIs	https://doi.org/10.2174/9781608059287114010010
Publikationsstatus	Erschienen - 2014

Fachgebiete und Schlagwörter

Chemie
MOLGEN
Mathematik

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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 (Hrsg.), Advances in Mathematical Chemistry and Applications (Band 1, S. 113-138). (Advances in Mathematical Chemistry and Applications; Band 1). Bentham Science Publishers B.V.. https://doi.org/10.2174/9781608059287114010010

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title = "MOLGEN 5.0, a Molecular Structure Generator",

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.",

keywords = "Chemistry, MOLGEN, Mathematics",

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

year = "2014",

doi = "10.2174/9781608059287114010010",

language = "English",

isbn = "978-1-60805-929-4",

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series = "Advances in Mathematical Chemistry and Applications",

publisher = "Bentham Science Publishers B.V.",

pages = "113--138",

editor = "Basak, \{Subhash C.\} and Guillermo Restrepo and Villaveces, \{Jos{\'e} L.\}",

booktitle = "Advances in Mathematical Chemistry and Applications",

address = "Netherlands",

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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 (Hrsg.), Advances in Mathematical Chemistry and Applications. Bd. 1, Advances in Mathematical Chemistry and Applications, Bd. 1, Bentham Science Publishers B.V., Sharjah, S. 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. Hrsg. / Subhash C. Basak; Guillermo Restrepo; José L. Villaveces. Band 1 Sharjah: Bentham Science Publishers B.V., 2014. S. 113-138 (Advances in Mathematical Chemistry and Applications; Band 1).

Publikation: Beiträge in Sammelwerken › Aufsätze in Sammelwerken › Forschung › Begutachtung

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.

KW - Chemistry

KW - MOLGEN

KW - Mathematics

U2 - 10.2174/9781608059287114010010

DO - 10.2174/9781608059287114010010

M3 - Contributions to collected editions/anthologies

SN - 978-1-60805-929-4

VL - 1

T3 - Advances in Mathematical Chemistry and Applications

SP - 113

EP - 138

BT - Advances in Mathematical Chemistry and Applications

A2 - Basak, Subhash C.

A2 - Restrepo, Guillermo

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, Hrsg., Advances in Mathematical Chemistry and Applications. Band 1. Sharjah: Bentham Science Publishers B.V. 2014. S. 113-138. (Advances in Mathematical Chemistry and Applications). doi: 10.2174/9781608059287114010010

MOLGEN 5.0, a Molecular Structure Generator

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