---
_id: '19681'
author:
- first_name: M. Alaraby
  full_name: Salem, M. Alaraby
  last_name: Salem
- first_name: Thomas D.
  full_name: Kühne, Thomas D.
  last_name: Kühne
citation:
  ama: Salem MA, Kühne TD. Insight from energy decomposition analysis on a hydrogen-bond-mediated
    mechanism for on-water catalysis. <i>Molecular Physics</i>. 2020:1-6. doi:<a href="https://doi.org/10.1080/00268976.2020.1797920">10.1080/00268976.2020.1797920</a>
  apa: Salem, M. A., &#38; Kühne, T. D. (2020). Insight from energy decomposition
    analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. <i>Molecular
    Physics</i>, 1–6. <a href="https://doi.org/10.1080/00268976.2020.1797920">https://doi.org/10.1080/00268976.2020.1797920</a>
  bibtex: '@article{Salem_Kühne_2020, title={Insight from energy decomposition analysis
    on a hydrogen-bond-mediated mechanism for on-water catalysis}, DOI={<a href="https://doi.org/10.1080/00268976.2020.1797920">10.1080/00268976.2020.1797920</a>},
    journal={Molecular Physics}, author={Salem, M. Alaraby and Kühne, Thomas D.},
    year={2020}, pages={1–6} }'
  chicago: Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition
    Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” <i>Molecular
    Physics</i>, 2020, 1–6. <a href="https://doi.org/10.1080/00268976.2020.1797920">https://doi.org/10.1080/00268976.2020.1797920</a>.
  ieee: M. A. Salem and T. D. Kühne, “Insight from energy decomposition analysis on
    a hydrogen-bond-mediated mechanism for on-water catalysis,” <i>Molecular Physics</i>,
    pp. 1–6, 2020.
  mla: Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition
    Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” <i>Molecular
    Physics</i>, 2020, pp. 1–6, doi:<a href="https://doi.org/10.1080/00268976.2020.1797920">10.1080/00268976.2020.1797920</a>.
  short: M.A. Salem, T.D. Kühne, Molecular Physics (2020) 1–6.
date_created: 2020-09-25T08:40:24Z
date_updated: 2022-01-06T06:54:10Z
department:
- _id: '304'
doi: 10.1080/00268976.2020.1797920
language:
- iso: eng
page: 1-6
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Molecular Physics
publication_identifier:
  issn:
  - 0026-8976
  - 1362-3028
publication_status: published
status: public
title: Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism
  for on-water catalysis
type: journal_article
user_id: '71692'
year: '2020'
...
---
_id: '16958'
article_number: e1643046
author:
- first_name: Robin
  full_name: Fingerhut, Robin
  last_name: Fingerhut
- first_name: Gerhard
  full_name: Herres, Gerhard
  last_name: Herres
- first_name: Jadran
  full_name: Vrabec, Jadran
  last_name: Vrabec
citation:
  ama: Fingerhut R, Herres G, Vrabec J. Thermodynamic factor of quaternary mixtures
    from Kirkwood–Buff integration. <i>Molecular Physics</i>. 2019. doi:<a href="https://doi.org/10.1080/00268976.2019.1643046">10.1080/00268976.2019.1643046</a>
  apa: Fingerhut, R., Herres, G., &#38; Vrabec, J. (2019). Thermodynamic factor of
    quaternary mixtures from Kirkwood–Buff integration. <i>Molecular Physics</i>.
    <a href="https://doi.org/10.1080/00268976.2019.1643046">https://doi.org/10.1080/00268976.2019.1643046</a>
  bibtex: '@article{Fingerhut_Herres_Vrabec_2019, title={Thermodynamic factor of quaternary
    mixtures from Kirkwood–Buff integration}, DOI={<a href="https://doi.org/10.1080/00268976.2019.1643046">10.1080/00268976.2019.1643046</a>},
    number={e1643046}, journal={Molecular Physics}, author={Fingerhut, Robin and Herres,
    Gerhard and Vrabec, Jadran}, year={2019} }'
  chicago: Fingerhut, Robin, Gerhard Herres, and Jadran Vrabec. “Thermodynamic Factor
    of Quaternary Mixtures from Kirkwood–Buff Integration.” <i>Molecular Physics</i>,
    2019. <a href="https://doi.org/10.1080/00268976.2019.1643046">https://doi.org/10.1080/00268976.2019.1643046</a>.
  ieee: R. Fingerhut, G. Herres, and J. Vrabec, “Thermodynamic factor of quaternary
    mixtures from Kirkwood–Buff integration,” <i>Molecular Physics</i>, 2019.
  mla: Fingerhut, Robin, et al. “Thermodynamic Factor of Quaternary Mixtures from
    Kirkwood–Buff Integration.” <i>Molecular Physics</i>, e1643046, 2019, doi:<a href="https://doi.org/10.1080/00268976.2019.1643046">10.1080/00268976.2019.1643046</a>.
  short: R. Fingerhut, G. Herres, J. Vrabec, Molecular Physics (2019).
date_created: 2020-05-15T07:25:34Z
date_updated: 2022-01-06T06:53:00Z
doi: 10.1080/00268976.2019.1643046
keyword:
- pc2-ressources
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Molecular Physics
publication_identifier:
  issn:
  - 0026-8976
  - 1362-3028
publication_status: published
status: public
title: Thermodynamic factor of quaternary mixtures from Kirkwood–Buff integration
type: journal_article
user_id: '61189'
year: '2019'
...
---
_id: '4359'
author:
- first_name: Pongthep
  full_name: Prajongtat, Pongthep
  last_name: Prajongtat
- first_name: Suwannee
  full_name: Sriyab, Suwannee
  last_name: Sriyab
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
- first_name: Supa
  full_name: Hannongbua, Supa
  last_name: Hannongbua
citation:
  ama: Prajongtat P, Sriyab S, Zentgraf T, Hannongbua S. Optimisation of stability
    and charge transferability of ferrocene-encapsulated carbon nanotubes. <i>Molecular
    Physics</i>. 2017;116(1):9-18. doi:<a href="https://doi.org/10.1080/00268976.2017.1359348">10.1080/00268976.2017.1359348</a>
  apa: Prajongtat, P., Sriyab, S., Zentgraf, T., &#38; Hannongbua, S. (2017). Optimisation
    of stability and charge transferability of ferrocene-encapsulated carbon nanotubes.
    <i>Molecular Physics</i>, <i>116</i>(1), 9–18. <a href="https://doi.org/10.1080/00268976.2017.1359348">https://doi.org/10.1080/00268976.2017.1359348</a>
  bibtex: '@article{Prajongtat_Sriyab_Zentgraf_Hannongbua_2017, title={Optimisation
    of stability and charge transferability of ferrocene-encapsulated carbon nanotubes},
    volume={116}, DOI={<a href="https://doi.org/10.1080/00268976.2017.1359348">10.1080/00268976.2017.1359348</a>},
    number={1}, journal={Molecular Physics}, publisher={Informa UK Limited}, author={Prajongtat,
    Pongthep and Sriyab, Suwannee and Zentgraf, Thomas and Hannongbua, Supa}, year={2017},
    pages={9–18} }'
  chicago: 'Prajongtat, Pongthep, Suwannee Sriyab, Thomas Zentgraf, and Supa Hannongbua.
    “Optimisation of Stability and Charge Transferability of Ferrocene-Encapsulated
    Carbon Nanotubes.” <i>Molecular Physics</i> 116, no. 1 (2017): 9–18. <a href="https://doi.org/10.1080/00268976.2017.1359348">https://doi.org/10.1080/00268976.2017.1359348</a>.'
  ieee: P. Prajongtat, S. Sriyab, T. Zentgraf, and S. Hannongbua, “Optimisation of
    stability and charge transferability of ferrocene-encapsulated carbon nanotubes,”
    <i>Molecular Physics</i>, vol. 116, no. 1, pp. 9–18, 2017.
  mla: Prajongtat, Pongthep, et al. “Optimisation of Stability and Charge Transferability
    of Ferrocene-Encapsulated Carbon Nanotubes.” <i>Molecular Physics</i>, vol. 116,
    no. 1, Informa UK Limited, 2017, pp. 9–18, doi:<a href="https://doi.org/10.1080/00268976.2017.1359348">10.1080/00268976.2017.1359348</a>.
  short: P. Prajongtat, S. Sriyab, T. Zentgraf, S. Hannongbua, Molecular Physics 116
    (2017) 9–18.
date_created: 2018-09-05T11:49:22Z
date_updated: 2022-01-06T07:00:58Z
department:
- _id: '15'
- _id: '230'
doi: 10.1080/00268976.2017.1359348
intvolume: '       116'
issue: '1'
page: 9-18
publication: Molecular Physics
publication_identifier:
  issn:
  - 0026-8976
  - 1362-3028
publication_status: published
publisher: Informa UK Limited
status: public
title: Optimisation of stability and charge transferability of ferrocene-encapsulated
  carbon nanotubes
type: journal_article
user_id: '30525'
volume: 116
year: '2017'
...
---
_id: '13682'
author:
- first_name: J.
  full_name: Bernholc, J.
  last_name: Bernholc
- first_name: W.
  full_name: Lu, W.
  last_name: Lu
- first_name: S. M.
  full_name: Nakhmanson, S. M.
  last_name: Nakhmanson
- first_name: P.H.
  full_name: Hahn, P.H.
  last_name: Hahn
- first_name: V.
  full_name: Meunier, V.
  last_name: Meunier
- first_name: M.
  full_name: Buongiorno Nardelli, M.
  last_name: Buongiorno Nardelli
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Bernholc J, Lu W, Nakhmanson SM, et al. Atomic scale design of nanostructures.
    <i>Molecular Physics</i>. Published online 2007:147-156. doi:<a href="https://doi.org/10.1080/00268970701189186">10.1080/00268970701189186</a>
  apa: Bernholc, J., Lu, W., Nakhmanson, S. M., Hahn, P. H., Meunier, V., Buongiorno
    Nardelli, M., &#38; Schmidt, W. G. (2007). Atomic scale design of nanostructures.
    <i>Molecular Physics</i>, 147–156. <a href="https://doi.org/10.1080/00268970701189186">https://doi.org/10.1080/00268970701189186</a>
  bibtex: '@article{Bernholc_Lu_Nakhmanson_Hahn_Meunier_Buongiorno Nardelli_Schmidt_2007,
    title={Atomic scale design of nanostructures}, DOI={<a href="https://doi.org/10.1080/00268970701189186">10.1080/00268970701189186</a>},
    journal={Molecular Physics}, author={Bernholc, J. and Lu, W. and Nakhmanson, S.
    M. and Hahn, P.H. and Meunier, V. and Buongiorno Nardelli, M. and Schmidt, Wolf
    Gero}, year={2007}, pages={147–156} }'
  chicago: Bernholc, J., W. Lu, S. M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno
    Nardelli, and Wolf Gero Schmidt. “Atomic Scale Design of Nanostructures.” <i>Molecular
    Physics</i>, 2007, 147–56. <a href="https://doi.org/10.1080/00268970701189186">https://doi.org/10.1080/00268970701189186</a>.
  ieee: 'J. Bernholc <i>et al.</i>, “Atomic scale design of nanostructures,” <i>Molecular
    Physics</i>, pp. 147–156, 2007, doi: <a href="https://doi.org/10.1080/00268970701189186">10.1080/00268970701189186</a>.'
  mla: Bernholc, J., et al. “Atomic Scale Design of Nanostructures.” <i>Molecular
    Physics</i>, 2007, pp. 147–56, doi:<a href="https://doi.org/10.1080/00268970701189186">10.1080/00268970701189186</a>.
  short: J. Bernholc, W. Lu, S.M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno
    Nardelli, W.G. Schmidt, Molecular Physics (2007) 147–156.
date_created: 2019-10-09T10:13:51Z
date_updated: 2025-12-05T13:04:38Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1080/00268970701189186
language:
- iso: eng
page: 147-156
publication: Molecular Physics
publication_identifier:
  issn:
  - 0026-8976
  - 1362-3028
publication_status: published
status: public
title: Atomic scale design of nanostructures
type: journal_article
user_id: '16199'
year: '2007'
...
---
_id: '35390'
article_type: original
author:
- first_name: M.
  full_name: Gochin, M.
  last_name: Gochin
- first_name: A.
  full_name: Pines, A.
  last_name: Pines
- first_name: M.E.
  full_name: Rosen, M.E.
  last_name: Rosen
- first_name: S.P.
  full_name: Rucker, S.P.
  last_name: Rucker
- first_name: Claudia
  full_name: Schmidt, Claudia
  id: '466'
  last_name: Schmidt
  orcid: 0000-0003-3179-9997
citation:
  ama: 'Gochin M, Pines A, Rosen ME, Rucker SP, Schmidt C. Two-dimensional N.M.R.
    studies of flexible molecules in liquid crystals: orientational order and conformational
    probabilities of<i>n</i>-hexane. <i>Molecular Physics</i>. 1990;69(4):671-695.
    doi:<a href="https://doi.org/10.1080/00268979000100501">10.1080/00268979000100501</a>'
  apa: 'Gochin, M., Pines, A., Rosen, M. E., Rucker, S. P., &#38; Schmidt, C. (1990).
    Two-dimensional N.M.R. studies of flexible molecules in liquid crystals: orientational
    order and conformational probabilities of<i>n</i>-hexane. <i>Molecular Physics</i>,
    <i>69</i>(4), 671–695. <a href="https://doi.org/10.1080/00268979000100501">https://doi.org/10.1080/00268979000100501</a>'
  bibtex: '@article{Gochin_Pines_Rosen_Rucker_Schmidt_1990, title={Two-dimensional
    N.M.R. studies of flexible molecules in liquid crystals: orientational order and
    conformational probabilities of<i>n</i>-hexane}, volume={69}, DOI={<a href="https://doi.org/10.1080/00268979000100501">10.1080/00268979000100501</a>},
    number={4}, journal={Molecular Physics}, publisher={Informa UK Limited}, author={Gochin,
    M. and Pines, A. and Rosen, M.E. and Rucker, S.P. and Schmidt, Claudia}, year={1990},
    pages={671–695} }'
  chicago: 'Gochin, M., A. Pines, M.E. Rosen, S.P. Rucker, and Claudia Schmidt. “Two-Dimensional
    N.M.R. Studies of Flexible Molecules in Liquid Crystals: Orientational Order and
    Conformational Probabilities of<i>n</i>-Hexane.” <i>Molecular Physics</i> 69,
    no. 4 (1990): 671–95. <a href="https://doi.org/10.1080/00268979000100501">https://doi.org/10.1080/00268979000100501</a>.'
  ieee: 'M. Gochin, A. Pines, M. E. Rosen, S. P. Rucker, and C. Schmidt, “Two-dimensional
    N.M.R. studies of flexible molecules in liquid crystals: orientational order and
    conformational probabilities of<i>n</i>-hexane,” <i>Molecular Physics</i>, vol.
    69, no. 4, pp. 671–695, 1990, doi: <a href="https://doi.org/10.1080/00268979000100501">10.1080/00268979000100501</a>.'
  mla: 'Gochin, M., et al. “Two-Dimensional N.M.R. Studies of Flexible Molecules in
    Liquid Crystals: Orientational Order and Conformational Probabilities of<i>n</i>-Hexane.”
    <i>Molecular Physics</i>, vol. 69, no. 4, Informa UK Limited, 1990, pp. 671–95,
    doi:<a href="https://doi.org/10.1080/00268979000100501">10.1080/00268979000100501</a>.'
  short: M. Gochin, A. Pines, M.E. Rosen, S.P. Rucker, C. Schmidt, Molecular Physics
    69 (1990) 671–695.
date_created: 2023-01-06T13:24:20Z
date_updated: 2023-01-07T10:50:09Z
department:
- _id: '2'
- _id: '315'
doi: 10.1080/00268979000100501
extern: '1'
intvolume: '        69'
issue: '4'
keyword:
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Molecular Biology
- Biophysics
language:
- iso: eng
page: 671-695
publication: Molecular Physics
publication_identifier:
  issn:
  - 0026-8976
  - 1362-3028
publication_status: published
publisher: Informa UK Limited
quality_controlled: '1'
status: public
title: 'Two-dimensional N.M.R. studies of flexible molecules in liquid crystals: orientational
  order and conformational probabilities of<i>n</i>-hexane'
type: journal_article
user_id: '466'
volume: 69
year: '1990'
...