On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers

2017 doctoral thesis by Ivan Welsh at Massey University
Place doctoral_thesis Q112189741
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On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers

Summary

On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers is a doctoral thesis[1].

Key Facts

  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers authored Ivan Welsh[2].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's instance of is recorded as doctoral thesis[3].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's publisher is recorded as Massey Research Online[4].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's language of work or name is recorded as English[5].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's country of origin is recorded as New Zealand[6].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's publication date is recorded as +2017-00-00T00:00:00Z[7].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's main subject is recorded as chemistry[8].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's main subject is recorded as physical chemistry[9].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's main subject is recorded as computer simulation[10].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's main subject is recorded as chemical kinetics[11].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's Handle ID is recorded as 10179/12987[12].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's title is recorded as On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers[13].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's copyright holder is recorded as Ivan Welsh[14].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's thesis submitted to is recorded as Massey University[15].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's on focus list of Wikimedia project is recorded as NZThesisProject[16].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's copyright status is recorded as copyrighted[17].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's thesis committee member is recorded as Jane R. Allison[18].
  • On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's thesis committee member is recorded as Peter Schwerdtfeger[19].

Body

Designation and Status

On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers's instance of is recorded as doctoral thesis[3].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [3] . wikidata.org.
  2. [2] . wikidata.org.
  3. [4] . wikidata.org.
  4. [5] . wikidata.org.
  5. [6] . wikidata.org.
  6. [7] . wikidata.org.
  7. [8] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  8. [9] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  9. [10] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  10. [11] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  11. [12] . wikidata.org.
  12. [13] . wikidata.org.
  13. [14] . wikidata.org.
  14. [15] . wikidata.org.
  15. [16] . wikidata.org.
  16. [17] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  17. [18] . hdl.handle.net. hdl.handle.net. Provenance: wikidata.org.
  18. [19] . wikidata.org.

Class ancestry

  1. [1] . Wikidata. wikidata.org.

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APA 4ort.xyz Knowledge Graph. (2026). On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers. Retrieved May 3, 2026, from https://4ort.xyz/entity/on-using-automated-algorithms-to-parameterise-molecules-for-molecular-dynamics-simulations-and-investigating-suitable-ensembles-for-the-simulation-of-naphthalimide-monolayers
MLA “On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/on-using-automated-algorithms-to-parameterise-molecules-for-molecular-dynamics-simulations-and-investigating-suitable-ensembles-for-the-simulation-of-naphthalimide-monolayers.
BibTeX @misc{4ortxyz_on-using-automated-algorithms-to-parameterise-molecules-for-molecular-dynamics-simulations-and-investigating-suitable-ensembles-for-the-simulation-of-naphthalimide-monolayers_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers}}, year = {2026}, url = {https://4ort.xyz/entity/on-using-automated-algorithms-to-parameterise-molecules-for-molecular-dynamics-simulations-and-investigating-suitable-ensembles-for-the-simulation-of-naphthalimide-monolayers}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers — https://4ort.xyz/entity/on-using-automated-algorithms-to-parameterise-molecules-for-molecular-dynamics-simulations-and-investigating-suitable-ensembles-for-the-simulation-of-naphthalimide-monolayers (retrieved 2026-05-03)

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