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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 10
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Research Articles

Effect of side by side interactions on the thermodynamic properties of adsorbed CO molecules on the Ni(111) surface: a cluster model study

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Pages 1397-1412 | Received 10 Dec 2009, Accepted 17 Feb 2010, Published online: 08 Jun 2010

References

  • Doll , K . 2003 . Surf. Sci. , 544 : 103
  • Jensen , F . 1999 . Introduction to Computational Chemistry , New York : Wiley .
  • Hill , TL . 1986 . An Introduction to Statistical Thermodynamics , New York : Dover .
  • McQuarrie , DA . 1976 . Statistical Mechanics , New York : Harper Collins .
  • Bishop , DM . 1993 . J. Chem. Phys. , 98 : 3179
  • Juarez , MF , Patrito , EM and Olivera , PP . 2009 . J. Phys. Chem. C , 113 : 681
  • Jakob , P and Schiffer , A . 2009 . Surf. Sci. , 603 : 1135
  • Rockey , TJ , Yang , M and Dai , HL . 2005 . Surf. Sci. , 589 : 42
  • Linke , R , Curulla , D , Hopstaken , MJP and Niemantsverdriet , JW . 2001 . J. Chem. Phys. , 115 : 8209
  • Curulla , D , Clotet , A and Ricart , JM . 2000 . Surf. Sci. , 460 : 101
  • Persson , BNJ and Jakob , P . 1998 . J. Chem. Phys. , 109 : 8641
  • Ueba , H . 1987 . Surf. Sci. , 188 : 421
  • Persson , BNJ and Ryberg , R . 1981 . Phys. Rev. B , 24 : 6954
  • Blyholder , G . 1964 . J. Phys. Chem. , 68 : 2772
  • Persson , BNJ and Persson , M . 1980 . Solid State Commun. , 36 : 175
  • Besley , NA and Bryan , JA . 2008 . J. Phys. Chem. C , 112 : 4308
  • Martin , RM . 2004 . Electronic Structure: Basic Theory and Practical Methods , Cambridge : Cambridge University Press .
  • Szabo , A and Ostlund , NE . 1989 . Modern Quantum Chemistry: An Introduction to Advanced Electronic Structure Theory , New York : McGraw-Hill .
  • Bevy , LP . 2006 . Trends in Catalysis Research , New York : Nova Science .
  • Panas , I , Siegbahn , P and Wahlgren , U . 1987 . Chem. Phys. , 112 : 325
  • Mattsson , A , Panas , I , Siegbahn , P , Wahlgren , U and Akeby , H . 1987 . Phys. Rev. B , 36 : 7389
  • Illas , F , Zurita , S , Márquez , AM and Rubio , J . 1997 . Surf. Sci. , 376 : 279
  • Illas , F , Zurita , S , Rubio , J and Márquez , AM . 1995 . Phys. Rev. B , 52 : 12372
  • Fahmi , A and van Santen , RA . 1997 . Surf. Sci. , 371 : 53
  • Head , JD . 1997 . Int. J. Quant. Chem. , 65 : 827
  • Head , JD and Shi , Y . 1999 . Int. J. Quant. Chem. , 75 : 815
  • Head , JD . 2000 . Int. J. Quant. Chem. , 77 : 350
  • Liu , ZW , Jun , KW , Roh , HS and Park , S-E . 2002 . J. Power Sources , 111 : 283
  • Prabhu , AK , Radhakrishnan , R and Oyama , ST . 1999 . Appl. Catal. A , 183 : 241
  • Klinke , DJ and Broadbelt , LJ . 1999 . Chem. Eng. Sci. , 54 : 3379
  • Kevan , SD , Davis , RF , Rosenblatt , HD , Tobin , JG , Mason , MG , Shirley , DA , Li , CH and Tong , SY . 1981 . Phys. Rev. Lett. , 46 : 1629
  • Becker , L , Aminpirooz , S , Hillert , B , Pedio , M , Haase , J and Adams , DL . 1993 . Phys. Rev. B. , 47 : 9710
  • Schindler , K-M , Hoffmann , Ph , Weiss , K-U , Dippel , R , Gradner , P , Fritzsche , V , Bradshaw , AM , Woodruff , DP , Davila , ME , Asensio , MC , Conesa , JC and Gonzalez-Elipe , AR . 1993 . J. Electron. Spectrosc. Relat. Phenom. , 75 : 64
  • Davila , ME , Asensio , MC , Woodruff , DP , Schindler , K-M , Hoffmann , Ph , Dippel , R , Gradner , P , Fritzsche , V , Bradshaw , AM , Conesa , JC and Gonzalez-Elipe , AR . 1994 . Surf. Sci. , 311 : 337
  • Mapledoram , LD , Bessent , MP , Wander , A and King , DA . 1994 . Chem. Phys. Lett. , 228 : 527
  • Davis , RF , Woodruff , DP , Hoffmann , Ph , Schaff , O , Fernandez , V , Schindler , K-M , Fritzsche , V and Bradshaw , AM . 1996 . J. Phys. Condens. Matter , 8 : 1367
  • Christmann , K , Schober , O and Ertl , G . 1974 . J. Chem. Phys. , 60 : 4719
  • Gijzeman , OLJ , van Zandvoort , MMJ , Labohm , F , Vliegenthart , JA and Jongert , G . 1984 . J. Chem. Soc., Faraday Trans. , 2 ( 80 ) : 771
  • Netzer , FP and Madey , TE . 1982 . J. Chem. Phys. , 76 : 710
  • Shah , V , Li , T , Baumert , KL , Cheng , H and Sholl , DS . 2003 . Surf. Sci. , 537 : 217
  • Xu , X , Lu , X , Wang , NQ , Zhang , QN , Ehara , M and Nakatsuji , H . 1999 . Int. J. Quant. Chem. , 72 : 221
  • Eichler , A . 2003 . Surf. Sci. , 526 : 332
  • Erley , W , Wagner , H and Ibach , H . 1979 . Surf. Sci. , 80 : 612
  • Surnev , L , Xu , Z and Yates , JT Jr . 1988 . Surf. Sci. , 201 : 14
  • Campuzano , JC and Greenler , RG . 1979 . Surf. Sci. , 83 : 301
  • Trenary , M , Uram , KJ and Yates , JT . 1985 . Surf. Sci. , 157 : 512
  • Tang , SL , Lee , MB , Yang , QY , Beckerle , JD and Ceyer , ST . 1986 . J. Chem. Phys. , 4 : 1876
  • Elliott , JAW and Ward , CA . 1997 . Langmuir , 13 : 951
  • Quiroś , C , Robach , O , Isren , H , Orgejón , P and Ferrer , S . 2003 . Surf. Sci. , 522 : 161
  • Held , G , Schuler , J , Sklarek , W and Steinrück , H-P . 1998 . Surf. Sci. , 398 : 154
  • Penev , E , Kratzer , P and Scheffler , M . 1999 . J. Chem. Phys. , 110 : 3986
  • Koch , W and Holthausen , MC . 2001 . A Chemist's Guide to Density Functional Theory , Weinheim : Wiley–VCH .
  • Perdew , JP and Wang , Y . 1992 . Phys. Rev. B , 45 : 13244
  • Ohnishi , Y , Nakao , Y , Sato , H and Sakaki , S . 2007 . J. Phys. Chem. A , 111 : 7915
  • Ohnishi , Y , Nakao , Y , Sato , H , Nakao , Y , Hiyama , T and Sakaki , S . 2009 . Organometallics , 28 : 2583
  • Zhou , J , Wang , W-N and Fan , K-N . 2006 . Chem. Phys. Lett. , 424 : 247
  • Godbout , N , Salahub , DR , Andzelm , J and Wimmer , E . 1992 . Can. J. Chem. , 70 : 560
  • Sosa , C , Andzelm , J , Elkin , BC , Wimmer , E , Dobbs , KD and Dixon , DA . 1992 . J. Phys. Chem. , 96 : 6630
  • Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Montgomery , JA Jr. , Vreven , T , Kudin , KN , Burant , JC , Millam , JM , Iyengar , SS , Tomasi , J , Barone , V , Mennucci , B , Cossi , M , Scalmani , G , Rega , N , Petersson , GA , Nakatsuji , H , Hada , M , Ehara , M , Toyota , K , Fukuda , R , Hasegawa , J , Ishida , M , Nakajima , T , Honda , Y , Kitao , O , Nakai , H , Klene , M , Li , X , Knox , JE , Hratchian , HP , Cross , JB , Adamo , C , Jaramillo , J , Gomperts , R , Stratmann , RE , Yazyev , O , Austin , AJ , Cammi , R , Pomelli , C , Ochterski , JW , Ayala , PY , Morokuma , K , Voth , GA , Salvador , P , Dannenberg , JJ , Zakrzewski , VG , Dapprich , S , Daniels , AD , Strain , MC , Farkas , O , Malick , DK , Rabuck , AD , Raghavachari , K , Foresman , JB , Ortiz , JV , Cui , Q , Baboul , AG , Clifford , S , Cioslowski , J , Stefanov , BB , Liu , G , Liashenko , A , Piskorz , P , Komaromi , I , Martin , RL , Fox , DJ , Keith , T , Al-Laham , MA , Peng , CY , Nanayakkara , A , Challacombe , M , Gill , PMW , Johnson , B , Chen , W , Wong , MW , Gonzalez , C and Pople , JA . 2003 . GAUSSIAN 03, rev B.2 , Pittsburgh, PA : Gaussian, Inc. .
  • Shamkhali , AN and Parsafar , G . 2006 . J. Phys. Chem. B , 110 : 20435
  • Mosley , DH , Denil , C , Champagne , B and Andre , J-M . 1997 . J. Mol. Catal. A , 119 : 235
  • Hay , PJ and Wadt , WR . 1985 . J. Chem. Phys. , 82 : 270
  • Wadt , WR and Hay , PJ . 1985 . J. Chem. Phys. , 82 : 284
  • Hay , PJ and Wadt , WR . 1985 . J. Chem. Phys. , 82 : 299
  • Chong , DP . 1995 . Recent Advances in Density Functional Methods , Singapore : World Scientific .
  • Chung , G and Lee , D . 2002 . J. Mol. Struc. (Theochem) , 582 : 85
  • Kwon , O and Kwon , Y . 1999 . J. Mol. Struct. (Theochem) , 460 : 213
  • Legge , FS , Nyberg , GL and Peel , JB . 2001 . J. Phys. Chem. , 105 : 7905
  • Simons , J , Jørgensen , P , Taylor , H and Ozment , J . 1983 . J. Phys. Chem. , 87 : 2745
  • Doye , GPK and Wales , DJ . 1998 . New J. Chem. , 22 : 733
  • Spencer , MJS , Hung , A , Snook , IK and Yarovsky , I . 2003 . Surf. Sci. , 540 : 412
  • Condon , EU and Shortley , GH . 1935 . The Theory of Atomic Spectra , Cambridge : Cambridge University Press .
  • Friedrich , H . 1990 . Theoretical Atomic Physics , Berlin : Springer .

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