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Volumn 134, Issue 5, 2011, Pages

Mg2H2: New insight on the Mg-Mg bonding and spectroscopic study

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC WAVENUMBERS; BASIS SETS; BONDING ENERGIES; CCSD; COUPLED-CLUSTER APPROACH; ELECTRONIC GROUND STATE; LOW-LYING EXCITED STATE; PERTURBATIVE TRIPLE EXCITATIONS; RO-VIBRATIONAL ENERGIES; ROTATIONAL CONSTANTS; SPECTROSCOPIC STUDIES; TETRA-ATOMIC MOLECULES; VARIATIONAL CALCULATION;

EID: 79951541040     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3533962     Document Type: Article
Times cited : (6)

References (72)
  • 2
  • 3
    • 33751211834 scopus 로고    scopus 로고
    • 5; M = Be, Mg, Ca, Zn, Cd]
    • DOI 10.1021/jp065010m
    • Q. S. Li and X. Yu, J. Phys. Chem. A 110, 11898 (2006). 10.1021/jp065010m (Pubitemid 44787542)
    • (2006) Journal of Physical Chemistry A , vol.110 , Issue.42 , pp. 11898-11902
    • Li, Q.S.1    Xu, Y.2
  • 6
    • 4143062377 scopus 로고    scopus 로고
    • Decamethyldizincocene, a stable compound of Zn(I) with a Zn-Zn bond
    • DOI 10.1126/science.1101356
    • I. Resa, E. Carmona, E. Gutierrez-Puebla, and A. Monge, Science 305, 1136 (2004). 10.1126/science.1101356 (Pubitemid 39100322)
    • (2004) Science , vol.305 , Issue.5687 , pp. 1136-1138
    • Resa, I.1    Carmona, E.2    Gutierrez-Puebla, E.3    Monge, A.4
  • 7
    • 37249087139 scopus 로고    scopus 로고
    • Stable magnesium(I) compounds with Mg-Mg bonds
    • DOI 10.1126/science.1150856
    • S. P. Green, C. Jones, and A. Stasch, Science 318, 1754 (2007). 10.1126/science.1150856 (Pubitemid 350274380)
    • (2007) Science , vol.318 , Issue.5857 , pp. 1754-1757
    • Green, S.P.1    Jones, C.2    Stasch, A.3
  • 13
    • 0040072396 scopus 로고
    • 10.1016/0022-3697(61)90182-2
    • O. Schnepp, J. Phys. Chem. Solids 17, 188 (1961). 10.1016/0022-3697(61) 90182-2
    • (1961) J. Phys. Chem. Solids , vol.17 , pp. 188
    • Schnepp, O.1
  • 15
    • 0035526009 scopus 로고    scopus 로고
    • Hydrides of the main-group metals: New variations on an old theme
    • DOI 10.1021/cr960151d
    • S. Aldridge and A. J. Downs, Chem. Rev. 101, 3305 (2001). 10.1021/cr960151d (Pubitemid 35373039)
    • (2001) Chemical Reviews , vol.101 , Issue.11 , pp. 3305-3365
    • Aldridge, S.1    Downs, A.J.2
  • 18
    • 0346886912 scopus 로고    scopus 로고
    • Influence of titanium on the hydrogen storage characteristics of magnesium hydride: A first principles investigation
    • DOI 10.1016/j.msea.2003.09.008
    • Y. Song, Z. X. Guo, and R. Yang, Mater. Sci. Eng., A 365, 73 (2004). 10.1016/j.msea.2003.09.008 (Pubitemid 38012679)
    • (2004) Materials Science and Engineering A , vol.365 , Issue.1-2 , pp. 73-79
    • Song, Y.1    Guo, Z.X.2    Yang, R.3
  • 19
    • 0346846648 scopus 로고    scopus 로고
    • Artificial neural network modelling of hydrogen storage properties of Mg-based alloys
    • DOI 10.1016/j.msea.2003.09.031
    • T. Malinova and Z. X. Guo, Mater. Sci. Eng., A 365, 219 (2004). 10.1016/j.msea.2003.09.031 (Pubitemid 38005833)
    • (2004) Materials Science and Engineering A , vol.365 , Issue.1-2 , pp. 219-227
    • Malinova, T.1    Guo, Z.X.2
  • 29
    • 0013252051 scopus 로고
    • edited by B. M. Tinsley and R. B. Larson (Yale Univ. Obs., New Haven)
    • S. M. Faber, in The Evolution of Galaxies and Stellar Population, edited by, B. M. Tinsley, and, R. B. Larson, (Yale Univ. Obs., New Haven, 1977), p. 157.
    • (1977) The Evolution of Galaxies and Stellar Population , pp. 157
    • Faber, S.M.1
  • 31
    • 0344708461 scopus 로고
    • 10.1088/0022-3700/3/12/019
    • W. J. Balfour, J. Phys. B 3, 1749 (1970). 10.1088/0022-3700/3/12/019
    • (1970) J. Phys. B , vol.3 , pp. 1749
    • Balfour, W.J.1
  • 32
    • 0039281102 scopus 로고
    • 10.1086/150734
    • W. J. Balfour, Astrophys. J. 162, 1031 (1970). 10.1086/150734
    • (1970) Astrophys. J. , vol.162 , pp. 1031
    • Balfour, W.J.1
  • 40
    • 34547506931 scopus 로고    scopus 로고
    • 2, and MgHD calculated from a new ab initio potential energy surface
    • DOI 10.1021/jp072510m
    • H. Li and R. J. Le Roy, J. Phys. Chem. A 111, 6248 (2007). 10.1021/jp072510m (Pubitemid 47184328)
    • (2007) Journal of Physical Chemistry A , vol.111 , Issue.28 , pp. 6248-6255
    • Li, H.1    Le Roy, R.J.2
  • 41
    • 25444491725 scopus 로고    scopus 로고
    • Towards accurate ab initio calculations on the vibrational modes of the alkaline earth metal hydrides
    • DOI 10.1039/b508779a
    • T. Hrenar, H.-J. Werner, and G. Rauhut, Phys. Chem. Chem. Phys. 7, 3123 (2005). 10.1039/b508779a (Pubitemid 41360194)
    • (2005) Physical Chemistry Chemical Physics , vol.7 , Issue.17 , pp. 3123-3125
    • Hrenar, T.1    Werner, H.-J.2    Rauhut, G.3
  • 52
  • 54
    • 0010957207 scopus 로고
    • 10.1016/0022-2852(76)90046-1
    • G. Strey and I. M. Mills, J. Mol. Spectrosc. 59, 103 (1976). 10.1016/0022-2852(76)90046-1
    • (1976) J. Mol. Spectrosc. , vol.59 , pp. 103
    • Strey, G.1    Mills, I.M.2
  • 55
    • 0000268280 scopus 로고    scopus 로고
    • RVIB4 is a tetra-atomic rovibrational variational code, see, ; 10.1006/jms1998.7692
    • RVIB4 is a tetra-atomic rovibrational variational code, see S. Carter and N. C. Handy, J. Mol. Spectrosc. 192, 263 (1998); 10.1006/jmsp.1998.7692
    • (1998) J. Mol. Spectrosc. , vol.192 , pp. 263
    • Carter, S.1    Handy, N.C.2
  • 61
    • 0001361307 scopus 로고    scopus 로고
    • Erratum
    • Erratum: J. Chem. Phys. 112, 3106 (2000).
    • (2000) J. Chem. Phys. , vol.112 , pp. 3106
  • 67
  • 69
    • 79951542168 scopus 로고    scopus 로고
    • MOLDEN, a graphic package written by G. Schaftenaar
    • MOLDEN, a graphic package written by G. Schaftenaar.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.