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Volumn 137, Issue 5, 2012, Pages

Relativistically corrected electric field gradients calculated with the normalized elimination of the small component formalism

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC NUCLEI; BENCHMARK CALCULATIONS; COMPUTATIONAL SCHEMES; ELECTRIC FIELD GRADIENTS; EXPERIMENTAL DATA; HEAVY ELEMENTS; NORMALIZED ELIMINATION OF THE SMALL COMPONENTS; ORGANOMETALLIC COMPOUNDS; REFERENCE DATA;

EID: 84864852126     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4742175     Document Type: Article
Times cited : (30)

References (52)
  • 6
    • 1842576444 scopus 로고    scopus 로고
    • edited by B. C. Gilbert, M. J. Davies, and D. M. Murphy (The Royal Society of Chemistry, Cambridge), Vol
    • F. Neese, Electron Paramagnetic Resonance, edited by, B. C. Gilbert, M. J. Davies, and, D. M. Murphy, (The Royal Society of Chemistry, Cambridge, 2007), Vol. 20, pp. 73-95.
    • (2007) Electron Paramagnetic Resonance , vol.20 , pp. 73-95
    • Neese, F.1
  • 19
    • 0000098371 scopus 로고    scopus 로고
    • 10.1063/1.473860
    • K. G. Dyall, J. Chem. Phys. 106, 9618 (1997). 10.1063/1.473860
    • (1997) J. Chem. Phys. , vol.106 , pp. 9618
    • Dyall, K.G.1
  • 21
    • 84865098777 scopus 로고    scopus 로고
    • Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method
    • (in press)
    • W. Zou, M. Filatov, and D. Cremer, Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method., J. Chem. Theory Comput. (in press).
    • J. Chem. Theory Comput.
    • Zou, W.1    Filatov, M.2    Cremer, D.3
  • 25
    • 34547564932 scopus 로고
    • 10.1103/PhysRev.56.340
    • R. P. Feynman, Phys. Rev. 56, 340 (1939). 10.1103/PhysRev.56.340
    • (1939) Phys. Rev. , vol.56 , pp. 340
    • Feynman, R.P.1
  • 26
    • 0036605711 scopus 로고    scopus 로고
    • 10.1002/jcc.10048
    • K. G. Dyall, J. Comp. Chem. 23, 786 (2002). 10.1002/jcc.10048
    • (2002) J. Comp. Chem. , vol.23 , pp. 786
    • Dyall, K.G.1
  • 30
  • 31
    • 33847664736 scopus 로고
    • 10.1088/0022-3700/13/17/009
    • P. Hafner, J. Phys. B 13, 3297 (1980). 10.1088/0022-3700/13/17/009
    • (1980) J. Phys. B , vol.13 , pp. 3297
    • Hafner, P.1
  • 37
    • 80052396803 scopus 로고    scopus 로고
    • 10.1063/1.3624397
    • L. Cheng and J. Gauss, J. Chem. Phys. 135, 084114 (2011). 10.1063/1.3624397
    • (2011) J. Chem. Phys. , vol.135 , pp. 084114
    • Cheng, L.1    Gauss, J.2
  • 38
    • 2342586703 scopus 로고    scopus 로고
    • 10.1063/1.1687676
    • C. van Wüllen, J. Chem. Phys. 120, 7307 (2004). 10.1063/1.1687676
    • (2004) J. Chem. Phys. , vol.120 , pp. 7307
    • Van Wüllen, C.1
  • 48
    • 0000255716 scopus 로고
    • 10.1107/S0567740871002905
    • F. L. Hirshfeld, Acta Cryst. B27, 769 (1971). 10.1107/S0567740871002905
    • (1971) Acta Cryst. , vol.27 , pp. 769
    • Hirshfeld, F.L.1
  • 52


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.