메뉴 건너뛰기




Volumn 9, Issue 9, 2013, Pages 3965-3977

Tests of exchange-correlation functional approximations against reliable experimental data for average bond energies of 3d transition metal compounds

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84884191629     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct400418u     Document Type: Article
Times cited : (104)

References (75)
  • 13
    • 84884200462 scopus 로고    scopus 로고
    • in press. Available at (accessed July 19, 2013).
    • Peverati, R.; Truhlar, D. G. Phil. Trans. Roy. Soc. A 2013, in press. Available at http://arxiv.org/abs/1212.0944 (accessed July 19, 2013).
    • (2013) Phil. Trans. Roy. Soc. A
    • Peverati, R.1    Truhlar, D.G.2
  • 14
    • 70549084886 scopus 로고    scopus 로고
    • For a review of additional validation tests, see - 10816
    • For a review of additional validation tests, see: Cramer, C. J.; Truhlar, D. G. Phys. Chem. Chem. Phys. 2009, 11, 10757-10816
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 10757
    • Cramer, C.J.1    Truhlar, D.G.2
  • 65
    • 0003464216 scopus 로고    scopus 로고
    • NIST Standard Reference Database, Gaitherburg, MD, (accessed November 1, 2011).
    • Mallard, W. G.; Linstrom, P. J. NIST Chemistry WebBook; NIST Standard Reference Database, Gaitherburg, MD, 2000. http://webbook.nist.gov/chemistry/ (accessed November 1, 2011).
    • (2000) NIST Chemistry WebBook
    • Mallard, W.G.1    Linstrom, P.J.2
  • 71
    • 84884196329 scopus 로고    scopus 로고
    • Minnesota Density Functionals Module 6.4, MN-GFM 6.4. See for details (accessed July 19, 2013).
    • Zhao, Y.; Peverati, R.; Yang, K.; Truhlar, D. G. Minnesota Density Functionals Module 6.4, MN-GFM 6.4. See http://comp.chem.umn.edu/mn-gfm/ for details (accessed July 19, 2013).
    • Zhao, Y.1    Peverati, R.2    Yang, K.3    Truhlar, D.G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.