DOI: 10.1039/c2cp24090d. Improving density functional theory for crystal polymorph energetics

Improving density functional theory for crystal polymorph energetics

10.1039/c2cp24090d

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Bibliography

Taylor, C. R., Bygrave, P. J., Hart, J. N., Allan, N. L., & Manby, F. R. (2012). Improving density functional theory for crystal polymorph energetics. Physical Chemistry Chemical Physics, 14(21), 7739.

Authors 5

Christopher R. Taylor (first)
Peter J. Bygrave (additional)
Judy N. Hart (additional)
Neil L. Allan (additional)
Frederick R. Manby (additional)

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Dates

Type	When
Created	13 years, 6 months ago (Feb. 15, 2012, 7:01 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 5:55 a.m.)
Indexed	1 year, 4 months ago (April 17, 2024, 8:55 p.m.)
Issued	13 years, 7 months ago (Jan. 1, 2012)
Published	13 years, 7 months ago (Jan. 1, 2012)
Published Print	13 years, 7 months ago (Jan. 1, 2012)

Funders 0

None

BibTeX

@article{Taylor_2012, title={Improving density functional theory for crystal polymorph energetics}, volume={14}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c2cp24090d}, DOI={10.1039/c2cp24090d}, number={21}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Taylor, Christopher R. and Bygrave, Peter J. and Hart, Judy N. and Allan, Neil L. and Manby, Frederick R.}, year={2012}, pages={7739} }

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    "date-time": "2024-04-17T09:55:22Z",
    "timestamp": 1713347722000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://xlink.rsc.org/?DOI=c2cp24090d"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2012
      ]
    ]
  },
  "references-count": 46,
  "journal-issue": {
    "issue": "21",
    "published-print": {
      "date-parts": [
        [
          2012
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1039/c2cp24090d",
  "relation": {},
  "ISSN": [
    "1463-9076",
    "1463-9084"
  ],
  "subject": [],
  "container-title-short": "Phys. Chem. Chem. Phys.",
  "published": {
    "date-parts": [
      [
        2012
      ]
    ]
  }
}