DOI: 10.1021/acs.jcim.7b00083. PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry

10.1021/acs.jcim.7b00083

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Information and Modeling (316)

Bibliography

Nakata, M., & Shimazaki, T. (2017). PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry. Journal of Chemical Information and Modeling, 57(6), 1300â1308.

Authors 2

Maho Nakata (first)
Tomomi Shimazaki (additional)

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Dates

Type	When
Created	8 years, 3 months ago (May 8, 2017, 4:14 p.m.)
Deposited	2 years, 4 months ago (April 13, 2023, 6:11 p.m.)
Indexed	1 day, 20 hours ago (Aug. 19, 2025, 6:55 a.m.)
Issued	8 years, 3 months ago (May 19, 2017)
Published	8 years, 3 months ago (May 19, 2017)
Published Online	8 years, 3 months ago (May 19, 2017)
Published Print	8 years, 1 month ago (June 26, 2017)

Funders 1

Japan Society for the Promotion of Science 10.13039/501100001691
Region: Asia
gov (National government)
Labels6
1. KAKENHI
2. 日本学術振興会
3. Gakushin
4. JSPS KAKEN
5. JSPS Grants-in-Aid for Scientific Research
6. JSPS
Awards1
1. 15K05403

BibTeX

@article{Nakata_2017, title={PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry}, volume={57}, ISSN={1549-960X}, url={http://dx.doi.org/10.1021/acs.jcim.7b00083}, DOI={10.1021/acs.jcim.7b00083}, number={6}, journal={Journal of Chemical Information and Modeling}, publisher={American Chemical Society (ACS)}, author={Nakata, Maho and Shimazaki, Tomomi}, year={2017}, month=may, pages={1300–1308} }

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        19
      ]
    ]
  },
  "references-count": 61,
  "journal-issue": {
    "issue": "6",
    "published-print": {
      "date-parts": [
        [
          2017,
          6,
          26
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/acs.jcim.7b00083"
  ],
  "URL": "http://dx.doi.org/10.1021/acs.jcim.7b00083",
  "relation": {},
  "ISSN": [
    "1549-9596",
    "1549-960X"
  ],
  "subject": [],
  "container-title-short": "J. Chem. Inf. Model.",
  "published": {
    "date-parts": [
      [
        2017,
        5,
        19
      ]
    ]
  }
}