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https://github.com/cgohlke/dimeropt

Build hollow nanotubes out of DimeroPt.

https://github.com/cgohlke/dimeropt

Science Score: 26.0%

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    CITATION.cff file
  • ✓
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    Found codemeta.json file
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    Found 1 DOI reference(s) in README
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    Low similarity (5.7%) to scientific vocabulary

Keywords

chemistry nanotubes python
Last synced: 6 months ago · JSON representation

Repository

Build hollow nanotubes out of DimeroPt.

Basic Info
  • Host: GitHub
  • Owner: cgohlke
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 117 KB
Statistics
  • Stars: 1
  • Watchers: 2
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Topics
chemistry nanotubes python
Created over 3 years ago · Last pushed over 3 years ago
Metadata Files
Readme License

README.rst 

Build hollow nanotubes out of DimeroPt
======================================

Dimeropt.py is a Python library to build hollow nanotubes from molecular
coordinates of Pt-Diethynylbiphenyl (DimeroPt).

Refer to reference [1] for details.

:Author: `Christoph Gohlke `_
:Version: 2022.7.1

Requirements
------------

This release has been tested with the following requirements and dependencies
(other versions may work):

- `Python 2.7 `_
- `Numpy 1.7 `_
- `PyCifRW 3.5 `_
- `Matplotlib 1.2 `_
  (optional for plotting)
- `CCDC `_
  deposit number 292024 crystallographic information file.
  The filename must be "dimeropt.cif".

References
----------

1. Self-assembly of nanostructured polymetallaynes polymer.
   I Fratoddi, C Gohlke, C Cametti, M Diociaiuti, M V Russo.
   Polymer 49(15), 3211-16, 2008. doi: 10.1016/j.polymer.2008.05.022
2. Platinum (II) dialkynyl bridged binuclear complex and related multinuclear
   oligomer: Comparison of EXAFS and X-ray crystal structure studies.
   C Battocchio, F D'Acapito, I Fratoddi, A La Groia, G Polzonetti,
   G Roviello, M V Russo. Chemical Physics 328(1-3), 269-274, 2006.

Owner

  • Name: Christoph Gohlke
  • Login: cgohlke
  • Kind: user
  • Location: Irvine, California

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Last synced: 8 months ago

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Christoph Gohlke c****e@c****m 1
Committer Domains (Top 20 + Academic)
cgohlke.com: 1

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Last synced: about 1 year ago

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