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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 111, 2013 - Issue 1
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Research Article

Electronic structures, stabilities and spectroscopic properties of PbmSin (m + n ≤ 6) clusters

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Pages 31-47 | Received 17 Apr 2012, Accepted 25 May 2012, Published online: 21 Jun 2012

References

  • Johnston , RL . 2002 . Atomic and Molecular Clusters , London : Taylor and Francis .
  • Johnston , RL . 1998 . Philos. Trans. R. Soc. London, Ser. A , 356 : 211 doi: 10.1098/rsta.1998.0158
  • Balasubramanian , K and Majumdar , D . 2001 . J. Chem. Phys. , 115 : 8795 doi: 10.1063/1.1412000
  • Wielgus , P , Roszak , S , Majumdar , D , Saloni , J and Leszczynski , J . 2008 . J. Chem. Phys. , 128 : 144305 doi: 10.1063/1.2890038
  • Yadav , PS , Yadav , RK , Agrawal , S and Agrawal , BK . 2006 . J. Phys.: Cond. Matt. , 18 : 7085 doi: 10.1088/0953-8984/18/31/004
  • Yadav , S , Yadav , RK , Agrawal , S and Agrawal , BK . 2006 . Physica E , 33 : 249 doi: 10.1016/j.physe.2006.03.132
  • Li , SD , Zhao , ZG , Zhao , XF , Wu , HS and Jin , ZH . 2001 . Phys. Rev. B , 64 : 195312 doi: 10.1103/PhysRevB.64.195312
  • Bing , D , Nguyen , QC , Fan , XF and Kuo , JL . 2008 . J. Phys. Chem. A , 112 : 2235 doi: 10.1021/jp711172n
  • Wang , YS and Chao , SD . 2011 . J. Phys. Chem. A , 105 : 1472 doi: 10.1021/jp108707d
  • Samanta , PN and Das , KK . 2012 . Comp. Theor. Chem. , 980 : 123 doi: 10.1016/j.comptc.2011.11.038
  • Ueno , LT , Kiohara , VO , Ferrao , LF , Marim , LR , Neto , OR and Machado , FBC . 2011 . Int. J. Quat. Chem. , 111 : 1562 doi: 10.1002/qua.22747
  • Hou , J and Song , B . 2008 . J. Chem. Phys. , 128 : 154304 doi: 10.1063/1.2895051
  • Ho , KM , Shvartsburg , AA , Pan , B , Lu , ZY , Wang , CZ , Wacker , JG , Fye , JL and Jarrold , MF . 1998 . Nature , 392 : 582 doi: 10.1038/33369
  • Liu , B , Lu , ZY , Pan , B , Ang , CZW , Ho , KM , Shvartsburg , AA and Jarrold , MF . 1998 . J. Chem. Phys. , 109 : 9401 doi: 10.1063/1.477601
  • Shvartsburg , AA , Hudgins , RR , Dugourd , P and Jarrold , MF . 2001 . Chem. Soc. Rev. , 30 : 26 doi: 10.1039/a802099j
  • Bachels , T and Schäfer , R . 2000 . Chem. Phys. Lett. , 324 : 365 doi: 10.1016/S0009-2614(00)00622-9
  • Li , S , Van Zee , RJ , Weltner , W Jr and Raghavachari , K . 1995 . Chem. Phys. Lett. , 243 : 275 doi: 10.1016/0009-2614(95)00836-S
  • Arnold , CC and Newmark , DD . 1993 . J. Chem. Phys. , 99 : 3353 doi: 10.1063/1.465145
  • Honea , E , Ogura , A , Murray , CA , Raghavachari , K , Sprenger , WO , Jarrold , MF and Brown , WL . 1993 . Nature , 366 : 42 doi: 10.1038/366042a0
  • Yang , JC , Xu , WG and Xiao , WS . 2005 . J. Mol. Struct.: Theochem , 719 : 89 doi: 10.1016/j.theochem.2004.12.035
  • Lan , YZ , Feng , YL , Wen , YH and Teng , BT . 2008 . J. Mol. Struct.: Theochem , 854 : 63 doi: 10.1016/j.theochem.2007.12.029
  • Christensen , NE , Satpathy , S and Pawlowska , Z . 1986 . Phys. Rev. B , 34 : 5977 doi: 10.1103/PhysRevB.34.5977
  • Rajesh , C and Majumder , C . 2007 . J. Chem. Phys. , 126 : 244704-1 doi: 10.1063/1.2741537
  • Wei , CM , Cheng , C and Chang , CM . 2006 . J. Phys. Chem. B , 110 : 24642 doi: 10.1021/jp063982o
  • Schäfer , S , Heiles , S , Becker , JA and Schäfer , R . 2008 . J. Chem. Phys. , 129 : 044304-1 doi: 10.1063/1.2924121
  • Wang , BL , Zhao , JJ , Chen , XS , Shi , DN and Wang , GH . 2005 . Phys. Rev. A , 71 : 033201 doi: 10.1103/PhysRevA.71.033201
  • Rajesh , C , Majumder , C , Rajan , MGR and Kulshreshtha , SK . 2005 . Phys. Rev. B , 72 : 235411 doi: 10.1103/PhysRevB.72.235411
  • Li , XP , Lu , WC , Zang , QJ , Chen , GJ , Wang , CZ and Ho , KM . 2009 . J. Phys. Chem. A , 113 : 6217 doi: 10.1021/jp810107c
  • Kelting , R , Otterstätter , R , Weis , P , Drebov , N , Ahlrichs , R and Kappes , MM . 2011 . J. Chem. Phys. , 134 : 024311-1 doi: 10.1063/1.3518040
  • Zhou , M , Jiang , L and Xu , Q . 2004 . J. Chem. Phys. , 121 : 10474 doi: 10.1063/1.1811078
  • Jiang , L and Xu , Q . 2005 . J. Chem. Phys. , 122 : 034505-1 doi: 10.1063/1.1834915
  • Xu , Q and Jiang , L . 2006 . Inorg. Chem. , 45 : 8648 doi: 10.1021/ic061105r
  • Nahali , M and Gobal , F . 2011 . Mol. Phys. , 109 : 229 doi: 10.1080/00268976.2010.515260
  • Metropolis , N , Rosenbluth , AW , Rosenbluth , MN , Teller , AH and Teller , E . 1953 . J. Chem. Phys. , 21 : 1087 doi: 10.1063/1.1699114
  • Tsoulos , IG and Lagaris , IE . 2008 . Comp. Phys. Comm. , 178 : 843 doi: 10.1016/j.cpc.2008.01.040
  • Becke , AD . 1993 . J. Chem. Phys. , 98 : 1372 doi: 10.1063/1.464304
  • Becke , AD . 1993 . J. Chem. Phys. , 98 : 5648 doi: 10.1063/1.464913
  • Lee , C , Yang , W and Parr , RG . 1988 . Phys. Rev. B , 37 : 785 doi: 10.1103/PhysRevB.37.785
  • Perdew , JP , Burke , K and Wang , Y . 1996 . Phys. Rev. B , 54 : 16533 doi: 10.1103/PhysRevB.54.16533
  • Perdew , JP , Burke , K and Ernzerhof , M . 1996 . Phys. Rev. Lett. , 77 : 3865 doi: 10.1103/PhysRevLett.77.3865
  • Perdew , JP and Wang , Y . 1992 . Phys. Rev. B , 45 : 13244 doi: 10.1103/PhysRevB.45.13244
  • Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Jr , JAMontgomery , Vreven , T , Kudin , KN , Burant , JC , Millam , JM , Iyengar , SS , Tomasi , J , Barone , V , Mennucci , B , Cossi , M and Scalmani , G . N.Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, Gaussian 03 revision E.01; Gaussian, Inc.: Wallingford, CT, 2004
  • Chakrabarty , S , Samanta , PN and Das , KK . 2011 . J. Phys. Chem. A , 115 : 12331 doi: 10.1021/jp204733h
  • Pearson , RG . 1963 . J. Am. Chem. Soc. , 85 : 3533 doi: 10.1021/ja00905a001
  • Ghanty , TK and Ghosh , SK . 1996 . J. Phys. Chem. , 100 : 12295 doi: 10.1021/jp960276m
  • Chattaraj , PK and Sengupta , S . 1996 . J. Phys. Chem. , 100 : 16126 doi: 10.1021/jp961096f
  • Parr , RG and Yang , W . 1989 . Density Functional Theory of Atoms and Molecules , New York : Oxford University Press .
  • Parr , RG , Donnelly , RA , Levy , M and Palke , WE . 1978 . J. Chem. Phys. , 68 : 3801 doi: 10.1063/1.436185
  • Parr , RG , Szentpaly , LV and Liu , S . 1999 . J. Am. Chem. Soc. , 121 : 1922 doi: 10.1021/ja983494x

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