Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy.

Gamper J, Gallmetzer JM, Listyarini RV, Weiss AKH, Hofer TS

DOI: 10.1021/acs.jctc.4c01580
Published: 2025 Jan 14
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.4c01580,
  title = {Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy.},
  author = {Gamper J and Gallmetzer JM and Listyarini RV and Weiss AKH and Hofer TS},
  year = {2025},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.4c01580},
  url = {https://doi.org/10.1021/acs.jctc.4c01580}
}

RIS

TY  - JOUR
TI  - Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy.
AU  - Gamper J
AU  - Gallmetzer JM
AU  - Listyarini RV
AU  - Weiss AKH
AU  - Hofer TS
PY  - 2025
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.4c01580
UR  - https://doi.org/10.1021/acs.jctc.4c01580
ER  -

APA

J, G., JM, G., RV, L., AKH, W., & TS, H. (2025). Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.4c01580

Source records

pubmed · retrieved 2026-09-26T12:52:35.837Z