HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State Searches.

Wu Y, Yu X, Chen C, Liu N, Wang H

DOI: 10.1021/acs.jctc.6c00474
Published: 2026 Jun 23
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00474,
  title = {HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State Searches.},
  author = {Wu Y and Yu X and Chen C and Liu N and Wang H},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c00474},
  url = {https://doi.org/10.1021/acs.jctc.6c00474}
}

RIS

TY  - JOUR
TI  - HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State Searches.
AU  - Wu Y
AU  - Yu X
AU  - Chen C
AU  - Liu N
AU  - Wang H
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c00474
UR  - https://doi.org/10.1021/acs.jctc.6c00474
ER  -

APA

Y, W., X, Y., C, C., N, L., & H, W. (2026). HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State Searches.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c00474

Source records

pubmed · retrieved 2026-09-26T19:40:45.065Z