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Volumn 132, Issue 24, 2010, Pages 8484-8488

Infrared spectra and quantum chemical calculations of the uranium carbide molecules UC and CUC with triple bonds

Author keywords

[No Author keywords available]

Indexed keywords

ATOM REACTIONS; BOND ORDERS; CARBON RICH; DIATOMIC MOLECULES; DYNAMICAL CORRELATIONS; INFRARED SPECTRUM; ISOTOPIC FREQUENCIES; LASER EVAPORATION; QUANTUM CHEMICAL CALCULATIONS; SOLID ARGON; SPIN-ORBIT COUPLINGS; TRIPLE BONDS;

EID: 77953624396     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja102475t     Document Type: Article
Times cited : (51)

References (57)
  • 15
    • 24944451360 scopus 로고    scopus 로고
    • Burns, C. J. Science 2005, 309, 1823-1824
    • (2005) Science , vol.309 , pp. 1823-1824
    • Burns, C.J.1
  • 33
    • 77953624842 scopus 로고    scopus 로고
    • Cambridge Isotope Laboratories, Cambridge, MA
    • Cambridge Isotope Laboratories, Cambridge, MA, www.isotope.com.
  • 34
    • 0001849992 scopus 로고
    • (spark plasma sintering)
    • Omori, M. and Hirai, T. New Ceram. 1994, 7, 23 (spark plasma sintering)
    • (1994) New Ceram. , vol.7 , pp. 23
    • Omori, M.1    Hirai, T.2
  • 46
    • 85045557400 scopus 로고
    • The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations
    • Ed.; John Wiley & Sons Ltd.: New York,; Chapter 69
    • Roos, B. O., The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations. In Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; John Wiley & Sons Ltd.: New York, 1987; Chapter 69, p 399.
    • (1987) Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry - II , pp. 399
    • Roos, B.O.1    Lawley, K.P.2
  • 53
    • 77953637036 scopus 로고    scopus 로고
    • Mulliken atomic charges, BPW91. CUO: C, -0.74; U, 1.59; O, -0.85. CUC: U, 1.42; C, -0.71
    • Mulliken atomic charges, BPW91. CUO: C, -0.74; U, 1.59; O, -0.85. CUC: U, 1.42; C, -0.71.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.