메뉴 건너뛰기




Volumn 135, Issue 6, 2011, Pages

The identification of a solvated electron pair in the gaseous clusters of Na-(H2O)n and Li-(H 2O)n

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL INVESTIGATIONS; FIRST-PRINCIPLES CALCULATION; GASPHASE; MOLECULAR MODELS; SODIUM ATOM; SOLVATED ELECTRON; SOLVATION STRUCTURE; SPIN-COUPLING; WATER CLUSTER;

EID: 80051909758     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3622562     Document Type: Article
Times cited : (5)

References (70)
  • 2
    • 33750605959 scopus 로고    scopus 로고
    • 10.1021/ar0680769
    • J. Simons, Acc. Chem. Res. 39, 772 (2006). 10.1021/ar0680769
    • (2006) Acc. Chem. Res. , vol.39 , pp. 772
    • Simons, J.1
  • 10
    • 56049105208 scopus 로고    scopus 로고
    • 10.1080/00268970802279555
    • D. M. Neumark, Mol. Phys. 106, 2183 (2008). 10.1080/00268970802279555
    • (2008) Mol. Phys. , vol.106 , pp. 2183
    • Neumark, D.M.1
  • 17
    • 33745437924 scopus 로고    scopus 로고
    • Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 2. A prediction for the observation of hydrated dielectrons with pump-probe spectroscopy
    • DOI 10.1021/jp0553232
    • R. E. Larsen and B. J. Schwartz, J. Phys. Chem. B 110, 9692 (2006). 10.1021/jp0553232 (Pubitemid 43952992)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.19 , pp. 9692-9697
    • Larsen, R.E.1    Schwartz, B.J.2
  • 18
    • 31544452771 scopus 로고    scopus 로고
    • Full configuration interaction computer simulation study of the thermodynamic and kinetic stability of hydrated dielectron
    • DOI 10.1021/jp0546453
    • R. E. Larsen and B. J. Schwartz, J. Phys. Chem. B 110, 1006 (2006). 10.1021/jp0546453 (Pubitemid 43164725)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.2 , pp. 1006-1014
    • Larsen, R.E.1    Schwartz, B.J.2
  • 19
    • 0037435472 scopus 로고    scopus 로고
    • Density functional theory of bipolarons in polar liquids
    • DOI 10.1016/S0009-2614(02)01822-5, PII S0009261402018225
    • G. N. Chuev and N. Russo, Chem. Phys. Lett. 368, 53 (2003). 10.1016/S0009-2614(02)01822-5 (Pubitemid 36002830)
    • (2003) Chemical Physics Letters , vol.368 , Issue.1-2 , pp. 53-58
    • Chuev, G.N.1    Russo, N.2
  • 23
    • 21844487083 scopus 로고
    • 10.1016/0301-0104(94)00332-5
    • K. H. Schmidt and D. M. Bartels, Chem. Phys. 190, 145 (1995). 10.1016/0301-0104(94)00332-5
    • (1995) Chem. Phys. , vol.190 , pp. 145
    • Schmidt, K.H.1    Bartels, D.M.2
  • 40
    • 33847626561 scopus 로고    scopus 로고
    • Ionization induced relaxation in solvation structure: A comparison between Na (H2 O)n and Na (N H3) n
    • DOI 10.1063/1.2464109
    • B. Gao and Z. F. Liu, J. Chem. Phys. 126, 084501 (2007). 10.1063/1.2464109 (Pubitemid 46355615)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.8 , pp. 084501
    • Gao, B.1    Liu, Z.-F.2
  • 41
    • 15444370651 scopus 로고    scopus 로고
    • Reaction and solvation of sodium in hydrogen bonded solvent clusters
    • DOI 10.1039/b419325n
    • C. Steinbach and U. Buck, Phys. Chem. Chem. Phys. 7, 986 (2005). 10.1039/b419325n (Pubitemid 40395655)
    • (2005) Physical Chemistry Chemical Physics , vol.7 , Issue.5 , pp. 986-990
    • Steinbach, C.1    Buck, U.2
  • 42
    • 24144502089 scopus 로고    scopus 로고
    • Ionization potentials of large sodium doped ammonia clusters
    • DOI 10.1063/1.1863934, 134301
    • C. Steinbach and U. Buck, J. Chem. Phys. 122, 134301 (2005). 10.1063/1.1863934 (Pubitemid 41237216)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.13 , pp. 1-6
    • Steinbach, C.1    Buck, U.2
  • 48
    • 4243606192 scopus 로고
    • 10.1103/PhysRevLett.55.2471
    • R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985). 10.1103/PhysRevLett.55.2471
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 50
    • 0000827406 scopus 로고
    • 10.1016/0370-1573(84)90192-3
    • M. L. Cohen, Phys. Rep. 110, 293 (1984). 10.1016/0370-1573(84)90192-3
    • (1984) Phys. Rep. , vol.110 , pp. 293
    • Cohen, M.L.1
  • 52
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 53
    • 27744460065 scopus 로고
    • 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). 10.1103/PhysRevB.49.14251
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 54
    • 2442537377 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmller, J.2
  • 55
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 57
    • 34547809547 scopus 로고
    • 10.1063/1.447334
    • S. Nosé, J. Chem. Phys. 81, 511 (1984). 10.1063/1.447334
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nosé, S.1
  • 58
    • 0001538909 scopus 로고
    • 10.1103/PhysRevA.31.1695
    • W. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.1
  • 63
    • 84890021933 scopus 로고
    • 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 65
    • 33846218615 scopus 로고    scopus 로고
    • - cluster anion in the intramolecular bending region by selective photodepletion of the more weakly electron binding species (isomer II)
    • DOI 10.1063/1.2409295
    • J. R. Roscioli and M. A. Johnson, J. Chem. Phys. 126, 024307 (2007). 10.1063/1.2409295 (Pubitemid 46105662)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.2 , pp. 024307
    • Roscioli, J.R.1    Johnson, M.A.2
  • 70


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.