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Volumn , Issue , 2013, Pages 21-61

Structural and Electronic Properties of Group 6 Transition Metal Oxide Clusters

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; METALS;

EID: 84903006351     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1016/B978-0-444-53874-1.00002-0     Document Type: Chapter
Times cited : (8)

References (257)
  • 5
    • 75849159019 scopus 로고    scopus 로고
    • Spectroscopic and theoretical studies of transition metal oxides and dioxygen complexes
    • Gong Y., Zhou M.F., Andrews L. Spectroscopic and theoretical studies of transition metal oxides and dioxygen complexes. Chem. Rev. 2009, 109:6765-6808.
    • (2009) Chem. Rev. , vol.109 , pp. 6765-6808
    • Gong, Y.1    Zhou, M.F.2    Andrews, L.3
  • 6
    • 0035412733 scopus 로고    scopus 로고
    • Chemical structures and performance of perovskite oxides
    • Pena M.A., Fierro J.L.G. Chemical structures and performance of perovskite oxides. Chem. Rev. 2001, 101:1981-2017.
    • (2001) Chem. Rev. , vol.101 , pp. 1981-2017
    • Pena, M.A.1    Fierro, J.L.G.2
  • 9
    • 84903037503 scopus 로고    scopus 로고
    • Wiley-VCH, Weinheim, Germany, (Chapter 14.11), G. Ertl, H. Knözinger, F. Schüth, J. Weitkamp (Eds.), second ed.
    • Handbook of Heterogeneous Catalysis 2008, Wiley-VCH, Weinheim, Germany, (Chapter 14.11). second ed. G. Ertl, H. Knözinger, F. Schüth, J. Weitkamp (Eds.).
    • (2008) Handbook of Heterogeneous Catalysis
  • 10
    • 79952969475 scopus 로고    scopus 로고
    • Chemistry with methane: concepts rather than recipes
    • Schwarz H. Chemistry with methane: concepts rather than recipes. Angew. Chem. Int. Ed. 2011, 50:10096-10115.
    • (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 10096-10115
    • Schwarz, H.1
  • 11
    • 0001502219 scopus 로고    scopus 로고
    • Surface chemistry and spectroscopy of chromium in inorganic oxides
    • Weckhuysen B.M., Wachs I.E., Schoonheydt R.A. Surface chemistry and spectroscopy of chromium in inorganic oxides. Chem. Rev. 1996, 96:3327-3350.
    • (1996) Chem. Rev. , vol.96 , pp. 3327-3350
    • Weckhuysen, B.M.1    Wachs, I.E.2    Schoonheydt, R.A.3
  • 12
    • 84903054690 scopus 로고    scopus 로고
    • The Electronic Structure of Post-Transition Metal Oxides, Ph.D. Thesis, University of Oxford, Oxford, UK, 2008. See <>.
    • D.J. Payne, The Electronic Structure of Post-Transition Metal Oxides, Ph.D. Thesis, University of Oxford, Oxford, UK, 2008. See <>. http://iupac.org/news/prize/2009/Payne.pdf.
    • Payne, D.J.1
  • 14
    • 24344461510 scopus 로고    scopus 로고
    • The preparation and characterization of highly efficient titanium oxide-based photofunctional materials
    • Anpo M., Dohshi S., Kitano M., Hu Y., Takeuchi M., Matsuoka M. The preparation and characterization of highly efficient titanium oxide-based photofunctional materials. Ann. Rev. Mater. Res. 2005, 35:1-27.
    • (2005) Ann. Rev. Mater. Res. , vol.35 , pp. 1-27
    • Anpo, M.1    Dohshi, S.2    Kitano, M.3    Hu, Y.4    Takeuchi, M.5    Matsuoka, M.6
  • 15
    • 47049092677 scopus 로고    scopus 로고
    • Solar hydrogen production with nanostructured metal oxides
    • Van de Krol R., Liang Y., Schoonman J. Solar hydrogen production with nanostructured metal oxides. J. Mater. Chem. 2008, 18:2311-2320.
    • (2008) J. Mater. Chem. , vol.18 , pp. 2311-2320
    • Van de Krol, R.1    Liang, Y.2    Schoonman, J.3
  • 16
    • 70450164080 scopus 로고    scopus 로고
    • Advancing the frontiers in nanocatalysis, biointerfaces, and renewable energy conversion by innovations of surface techniques
    • Somorjai G.A., Frei H., Park J.Y. Advancing the frontiers in nanocatalysis, biointerfaces, and renewable energy conversion by innovations of surface techniques. J. Am. Chem. Soc. 2009, 131:16589-16605.
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 16589-16605
    • Somorjai, G.A.1    Frei, H.2    Park, J.Y.3
  • 17
    • 72949117426 scopus 로고    scopus 로고
    • Visible light water splitting using dye-sensitized oxide semiconductors
    • Youngblood W.J., Lee S.-H.A., Maeda K., Mallouk T.E. Visible light water splitting using dye-sensitized oxide semiconductors. Acc. Chem. Res. 2009, 42:1966-1973.
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1966-1973
    • Youngblood, W.J.1    Lee, S.-H.A.2    Maeda, K.3    Mallouk, T.E.4
  • 18
    • 77949555575 scopus 로고    scopus 로고
    • Photoelectrocatalytic materials for environmental applications
    • Zhang H., Chen G., Bahnemann D.W. Photoelectrocatalytic materials for environmental applications. J. Mater. Chem. 2009, 19:5089-5121.
    • (2009) J. Mater. Chem. , vol.19 , pp. 5089-5121
    • Zhang, H.1    Chen, G.2    Bahnemann, D.W.3
  • 19
    • 58449094647 scopus 로고    scopus 로고
    • Bismuth-doped oxide glasses as potential solar spectral converters and concentrators
    • Kitano M., Hara M. Bismuth-doped oxide glasses as potential solar spectral converters and concentrators. J. Mater. Chem. 2009, 20:627-630.
    • (2009) J. Mater. Chem. , vol.20 , pp. 627-630
    • Kitano, M.1    Hara, M.2
  • 20
    • 57649159482 scopus 로고    scopus 로고
    • Heterogeneous photocatalyst materials for water splitting
    • Kudo A., Miseki Y. Heterogeneous photocatalyst materials for water splitting. Chem. Soc. Rev. 2009, 38:253-278.
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 253-278
    • Kudo, A.1    Miseki, Y.2
  • 22
    • 84858432931 scopus 로고    scopus 로고
    • Advanced nanoarchitectures for solar photocatalytic applications
    • Kubacka A., Fernández-García M., Colón G.M. Advanced nanoarchitectures for solar photocatalytic applications. Chem. Rev. 2012, 112:1555-1614.
    • (2012) Chem. Rev. , vol.112 , pp. 1555-1614
    • Kubacka, A.1    Fernández-García, M.2    Colón, G.M.3
  • 24
    • 0022777999 scopus 로고
    • 2 predicted as a half-metallic ferromagnet
    • 2 predicted as a half-metallic ferromagnet. J. Phys. F 1986, 16:L211-L215.
    • (1986) J. Phys. F , vol.16
    • Schwarz, K.1
  • 29
    • 34047251700 scopus 로고    scopus 로고
    • Metal oxides for solid-state gas sensors: what determines our choice?
    • and references therein
    • Korotcenkov G. Metal oxides for solid-state gas sensors: what determines our choice?. Mater. Sci. Eng. B 2007, 139:1-23. and references therein.
    • (2007) Mater. Sci. Eng. B , vol.139 , pp. 1-23
    • Korotcenkov, G.1
  • 30
    • 18144378483 scopus 로고    scopus 로고
    • Gas-phase catalysis by atomic and cluster metal ions: the ultimate single-site catalysts
    • Böhme D.K., Schwarz H. Gas-phase catalysis by atomic and cluster metal ions: the ultimate single-site catalysts. Angew. Chem. Int. Ed. 2005, 44:2336-2354.
    • (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 2336-2354
    • Böhme, D.K.1    Schwarz, H.2
  • 31
    • 0003715791 scopus 로고
    • Kluwer Academic Publishers, Dodrecht, The Netherlands, M.T. Pope, A. Müller (Eds.)
    • Polyoxometalates: From Platonic Solids to Retro-Viral Activity 1994, Kluwer Academic Publishers, Dodrecht, The Netherlands. M.T. Pope, A. Müller (Eds.).
    • (1994) Polyoxometalates: From Platonic Solids to Retro-Viral Activity
  • 32
    • 0003064397 scopus 로고    scopus 로고
    • A special issue on polyoxometalates in catalysis
    • A special issue on polyoxometalates in catalysis. J. Mol. Catal. A 1996, 114:1-371.
    • (1996) J. Mol. Catal. A , vol.114 , pp. 1-371
  • 33
    • 0001845218 scopus 로고    scopus 로고
    • A special issue on polyoxometalates
    • A special issue on polyoxometalates. Chem. Rev. 1998, 98:1-390.
    • (1998) Chem. Rev. , vol.98 , pp. 1-390
  • 35
    • 0000756022 scopus 로고
    • Absolute values of gas phase proton affinities and basicities of molecules: a comparison between theory and experiment
    • Wiley-VCH, Weinheim, Germany, (Chapter 7)
    • Dixon D.A., Lias S.G. Absolute values of gas phase proton affinities and basicities of molecules: a comparison between theory and experiment. Molecular Structures and Energetics 1987, vol. 2:269-314. Wiley-VCH, Weinheim, Germany, (Chapter 7).
    • (1987) Molecular Structures and Energetics , vol.2 , pp. 269-314
    • Dixon, D.A.1    Lias, S.G.2
  • 36
    • 0033531629 scopus 로고    scopus 로고
    • Trivalent ion hydrolysis reactions: a linear free energy relationship based on density functional electronic structure calculations
    • Rustad J.R., Dixon D.A., Russo K., Felmy A.R. Trivalent ion hydrolysis reactions: a linear free energy relationship based on density functional electronic structure calculations. J. Am. Chem. Soc. 1999, 121:3234-3235.
    • (1999) J. Am. Chem. Soc. , vol.121 , pp. 3234-3235
    • Rustad, J.R.1    Dixon, D.A.2    Russo, K.3    Felmy, A.R.4
  • 37
    • 0000865277 scopus 로고    scopus 로고
    • The gas phase acidities of tetrahedral oxyacids from ab initio electronic structure theory
    • Rustad J.R., Dixon D.A., Kubicki J.D., Felmy A.R. The gas phase acidities of tetrahedral oxyacids from ab initio electronic structure theory. J. Phys. Chem. A 2000, 104:4051-4057.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 4051-4057
    • Rustad, J.R.1    Dixon, D.A.2    Kubicki, J.D.3    Felmy, A.R.4
  • 39
    • 0000122016 scopus 로고
    • A full coupled-cluster singles and doubles model: the inclusion of disconnected triples
    • Purvis G.D., Bartlett R.J. A full coupled-cluster singles and doubles model: the inclusion of disconnected triples. J. Chem. Phys. 1982, 76:1910-1918.
    • (1982) J. Chem. Phys. , vol.76 , pp. 1910-1918
    • Purvis, G.D.1    Bartlett, R.J.2
  • 41
    • 36449006622 scopus 로고
    • Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree-Fock and other general single determinant reference functions. Energies and analytical gradients
    • Watts J.D., Gauss J., Bartlett R.J. Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree-Fock and other general single determinant reference functions. Energies and analytical gradients. J. Chem. Phys. 1993, 98:8718-8733.
    • (1993) J. Chem. Phys. , vol.98 , pp. 8718-8733
    • Watts, J.D.1    Gauss, J.2    Bartlett, R.J.3
  • 42
    • 33847389465 scopus 로고    scopus 로고
    • Coupled-cluster theory in quantum chemistry
    • Bartlett R.J., Musial M. Coupled-cluster theory in quantum chemistry. Rev. Mod. Phys. 2007, 79:291-352.
    • (2007) Rev. Mod. Phys. , vol.79 , pp. 291-352
    • Bartlett, R.J.1    Musial, M.2
  • 43
    • 33751310050 scopus 로고    scopus 로고
    • Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10
    • Gutowski K.E., Dixon D.A. Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10. J. Phys. Chem. A 2006, 110:12044-12054.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 12044-12054
    • Gutowski, K.E.1    Dixon, D.A.2
  • 44
    • 84961980477 scopus 로고    scopus 로고
    • Quantum mechanical continuum solvation models
    • Tomasi J., Mennucci B., Cammi R. Quantum mechanical continuum solvation models. Chem. Rev. 2005, 105:2999-3094.
    • (2005) Chem. Rev. , vol.105 , pp. 2999-3094
    • Tomasi, J.1    Mennucci, B.2    Cammi, R.3
  • 45
    • 84961980743 scopus 로고
    • COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
    • Klamt A., Schüürmann G. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc. Perkin Trans. 1993, 2:799-805.
    • (1993) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 799-805
    • Klamt, A.1    Schüürmann, G.2
  • 46
    • 0000278584 scopus 로고    scopus 로고
    • On a quantitative scale for Lewis acidity and recent progress in polynitrogen chemistry
    • Christe K.O., Dixon D.A., McLemore W.W., Sheehy J., Boatz J.A. On a quantitative scale for Lewis acidity and recent progress in polynitrogen chemistry. J. Fluorine Chem. 2000, 101:151-153.
    • (2000) J. Fluorine Chem. , vol.101 , pp. 151-153
    • Christe, K.O.1    Dixon, D.A.2    McLemore, W.W.3    Sheehy, J.4    Boatz, J.A.5
  • 47
    • 79956088688 scopus 로고    scopus 로고
    • 3 March, citing work by D. A. Dixon and K. O. Christe
    • Dagani R. Chem. Eng. News 3 March, 2003, 48-49. citing work by D. A. Dixon and K. O. Christe.
    • (2003) Chem. Eng. News , pp. 48-49
    • Dagani, R.1
  • 48
    • 0001645699 scopus 로고
    • A local density functional study of the structure and vibrational spectra of transition metal compounds
    • Sosa C., Andzelm J., Elkin B.C., Wimmer E., Dobbs K.D., Dixon D.A. A local density functional study of the structure and vibrational spectra of transition metal compounds. J. Phys. Chem. 1992, 96:6630-6636.
    • (1992) J. Phys. Chem. , vol.96 , pp. 6630-6636
    • Sosa, C.1    Andzelm, J.2    Elkin, B.C.3    Wimmer, E.4    Dobbs, K.D.5    Dixon, D.A.6
  • 49
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 50
    • 0345491105 scopus 로고
    • Development of the colle-salvetti correlation-energy formula into a functional of the electron density
    • Lee C., Yang W., Parr R.G. Development of the colle-salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37:785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 53
    • 49149121043 scopus 로고    scopus 로고
    • n (n=1-4) clusters and their anions
    • n (n=1-4) clusters and their anions. J. Phys. Chem. A 2008, 112:6646-6666.
    • (2008) J. Phys. Chem. A , vol.112 , pp. 6646-6666
    • Li, S.1    Dixon, D.A.2
  • 55
    • 77249119460 scopus 로고    scopus 로고
    • n (n=1-4) clusters and their anions
    • n (n=1-4) clusters and their anions. J. Phys. Chem. A 2010, 114:2665-2683.
    • (2010) J. Phys. Chem. A , vol.114 , pp. 2665-2683
    • Li, S.1    Dixon, D.A.2
  • 58
    • 0002376226 scopus 로고
    • Methods in Computational Chemistry
    • Plenum Press, New York, S. Wilson (Ed.)
    • Methods in Computational Chemistry. Relativistic Effects in Atoms and Molecules 1988, vol. 2. Plenum Press, New York. S. Wilson (Ed.).
    • (1988) Relativistic Effects in Atoms and Molecules , vol.2
  • 60
    • 36449007808 scopus 로고
    • Energy-adjusted pseudopotentials for the actinides Parameter sets and test calculations for thorium and thorium monoxide
    • and references therein
    • Küchle W., Dolg M., Stoll H., Preuss H. Energy-adjusted pseudopotentials for the actinides Parameter sets and test calculations for thorium and thorium monoxide. J. Chem. Phys. 1994, 100:7535-7542. and references therein.
    • (1994) J. Chem. Phys. , vol.100 , pp. 7535-7542
    • Küchle, W.1    Dolg, M.2    Stoll, H.3    Preuss, H.4
  • 61
    • 84855829732 scopus 로고    scopus 로고
    • Relativistic pseudopotentials: their development and scope of applications
    • Dolg M., Cao X. Relativistic pseudopotentials: their development and scope of applications. Chem. Rev. 2012, 112:403-480.
    • (2012) Chem. Rev. , vol.112 , pp. 403-480
    • Dolg, M.1    Cao, X.2
  • 62
    • 84903045717 scopus 로고    scopus 로고
    • Pseudopotentials of the Stuttgart/Cologne group (Revision: July 09, 2009). See world wide website:
    • M. Dolg, K.A. Peterson, P. Schwerdtfeger, H. Stoll, H. Preuss, Pseudopotentials of the Stuttgart/Cologne group (Revision: July 09, 2009). See world wide website: <>. http://www.theochem.uni-stuttgart.de/pseudopotentials/index.en.html.
    • Dolg, M.1    Peterson, K.A.2    Schwerdtfeger, P.3    Stoll, H.4    Preuss, H.5
  • 66
    • 84862907865 scopus 로고    scopus 로고
    • Challenges for density functional theory
    • Cohen A.J., Mori-Sánchez P., Yang W. Challenges for density functional theory. Chem. Rev. 2012, 112:289-320.
    • (2012) Chem. Rev. , vol.112 , pp. 289-320
    • Cohen, A.J.1    Mori-Sánchez, P.2    Yang, W.3
  • 67
    • 70549084886 scopus 로고    scopus 로고
    • Density functional theory for transition metals and transition metal chemistry
    • and references therein
    • Cramer C.J., Truhlar D.G. Density functional theory for transition metals and transition metal chemistry. Phys. Chem. Chem. Phys. 2009, 11:10757-10816. and references therein.
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 10757-10816
    • Cramer, C.J.1    Truhlar, D.G.2
  • 68
    • 0035934197 scopus 로고    scopus 로고
    • Extended benchmark studies of coupled cluster theory through triple excitations
    • Feller D., Dixon D.A. Extended benchmark studies of coupled cluster theory through triple excitations. J. Chem. Phys. 2001, 115:3484-3496.
    • (2001) J. Chem. Phys. , vol.115 , pp. 3484-3496
    • Feller, D.1    Dixon, D.A.2
  • 69
    • 57149144731 scopus 로고    scopus 로고
    • A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures
    • (32 pages)
    • Feller D., Peterson K.A., Dixon D.A. A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures. J. Chem. Phys. 2008, 129:204015. (32 pages).
    • (2008) J. Chem. Phys. , vol.129 , pp. 204015
    • Feller, D.1    Peterson, K.A.2    Dixon, D.A.3
  • 70
    • 84855487433 scopus 로고    scopus 로고
    • Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
    • (20 pages)
    • Peterson K.A., Feller D., Dixon D.A. Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges. Theor. Chem. Acc. 2012, 131:1079. (20 pages).
    • (2012) Theor. Chem. Acc. , vol.131 , pp. 1079
    • Peterson, K.A.1    Feller, D.2    Dixon, D.A.3
  • 71
    • 84866512446 scopus 로고    scopus 로고
    • Further benchmarks of a composite, convergent, statistically-calibrated coupled cluster-based approach for thermochemical and spectroscopic studies
    • 10.1080/00268976.2012.684897.
    • Feller D., Peterson K.A., Dixon D.A. Further benchmarks of a composite, convergent, statistically-calibrated coupled cluster-based approach for thermochemical and spectroscopic studies. Mol. Phys. 2012, 1. 10.1080/00268976.2012.684897.
    • (2012) Mol. Phys. , vol.1
    • Feller, D.1    Peterson, K.A.2    Dixon, D.A.3
  • 74
    • 0041401966 scopus 로고
    • Gaussian-2 theory for molecular energies of first- and second-row compounds
    • Curtiss L.A., Raghavachari K., Trucks G.W., Pople J.A. Gaussian-2 theory for molecular energies of first- and second-row compounds. J. Chem. Phys. 1991, 94:7221-7230.
    • (1991) J. Chem. Phys. , vol.94 , pp. 7221-7230
    • Curtiss, L.A.1    Raghavachari, K.2    Trucks, G.W.3    Pople, J.A.4
  • 77
    • 0001750657 scopus 로고    scopus 로고
    • Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory
    • Martin J.M.L., de Oliveira G. Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory. J. Chem. Phys. 1999, 111:1843-1856.
    • (1999) J. Chem. Phys. , vol.111 , pp. 1843-1856
    • Martin, J.M.L.1    de Oliveira, G.2
  • 78
  • 79
    • 33750004854 scopus 로고    scopus 로고
    • W4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions
    • (17 pages)
    • Karton A., Rabinovich E., Martin J.M.L., Ruscic B. W4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions. J. Chem. Phys. 2006, 125:144108. (17 pages).
    • (2006) J. Chem. Phys. , vol.125 , pp. 144108
    • Karton, A.1    Rabinovich, E.2    Martin, J.M.L.3    Ruscic, B.4
  • 84
    • 41049111804 scopus 로고    scopus 로고
    • High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview
    • (15 pages)
    • Harding M.E., Vazquez J., Ruscic B., Wilson A.K., Gauss J., Stanton J.F. High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview. J. Chem. Phys. 2008, 128:114111. (15 pages).
    • (2008) J. Chem. Phys. , vol.128 , pp. 114111
    • Harding, M.E.1    Vazquez, J.2    Ruscic, B.3    Wilson, A.K.4    Gauss, J.5    Stanton, J.F.6
  • 85
    • 26044479374 scopus 로고    scopus 로고
    • Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies
    • (12 pages)
    • Curtiss L.A., Redfern P.C., Raghavachari K. Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies. J. Chem. Phys. 2005, 123:124107. (12 pages).
    • (2005) J. Chem. Phys. , vol.123 , pp. 124107
    • Curtiss, L.A.1    Redfern, P.C.2    Raghavachari, K.3
  • 86
    • 34547554847 scopus 로고    scopus 로고
    • The correlation consistent composite approach (ccCA): an alternative to the Gaussian-n methods
    • (17 pages)
    • DeYonker N.J., Cundari T.R., Wilson A.K. The correlation consistent composite approach (ccCA): an alternative to the Gaussian-n methods. J. Chem. Phys. 2006, 124:114104. (17 pages).
    • (2006) J. Chem. Phys. , vol.124 , pp. 114104
    • DeYonker, N.J.1    Cundari, T.R.2    Wilson, A.K.3
  • 87
    • 33748983952 scopus 로고    scopus 로고
    • Computation of gas-phase enthalpies of formation with chemical accuracy: the curious case of 3-nitroaniline
    • DeYonker N.J., Cundari T.R., Wilson A.K., Sood C.A., Magers D.H. Computation of gas-phase enthalpies of formation with chemical accuracy: the curious case of 3-nitroaniline. J. Mol. Struct. (THEOCHEM) 2006, 775:77-80.
    • (2006) J. Mol. Struct. (THEOCHEM) , vol.775 , pp. 77-80
    • DeYonker, N.J.1    Cundari, T.R.2    Wilson, A.K.3    Sood, C.A.4    Magers, D.H.5
  • 89
    • 33748262300 scopus 로고    scopus 로고
    • Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA)
    • Ho D.S., DeYonker N.J., Wilson A.K., Cundari T.R. Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA). J. Phys. Chem. A 2006, 110:9767-9770.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 9767-9770
    • Ho, D.S.1    DeYonker, N.J.2    Wilson, A.K.3    Cundari, T.R.4
  • 91
    • 67650721790 scopus 로고    scopus 로고
    • Accurate thermochemistry for transition metal complexes from first-principles calculations
    • (9 pages)
    • DeYonker N.J., Williams T.G., Imel A.E., Cundari T.R., Wilson A.K. Accurate thermochemistry for transition metal complexes from first-principles calculations. J. Chem. Phys. 2009, 131:024106. (9 pages).
    • (2009) J. Chem. Phys. , vol.131 , pp. 024106
    • DeYonker, N.J.1    Williams, T.G.2    Imel, A.E.3    Cundari, T.R.4    Wilson, A.K.5
  • 92
    • 84856003761 scopus 로고    scopus 로고
    • Toward accurate theoretical thermochemistry of first row transition metal complexes
    • Jiang W., DeYonker N.J., Determan J.J., Wilson A.K. Toward accurate theoretical thermochemistry of first row transition metal complexes. J. Phys. Chem. A 2012, 112:870-885.
    • (2012) J. Phys. Chem. A , vol.112 , pp. 870-885
    • Jiang, W.1    DeYonker, N.J.2    Determan, J.J.3    Wilson, A.K.4
  • 93
    • 84855829723 scopus 로고    scopus 로고
    • Recent advances in wave function-based methods of molecular-property calculations
    • Helgaker T., Coriani S., Jørgensen P., Kristensen K., Olsen J., Ruud K. Recent advances in wave function-based methods of molecular-property calculations. Chem. Rev. 2012, 112:543-631.
    • (2012) Chem. Rev. , vol.112 , pp. 543-631
    • Helgaker, T.1    Coriani, S.2    Jørgensen, P.3    Kristensen, K.4    Olsen, J.5    Ruud, K.6
  • 94
    • 33746614482 scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
    • Dunning T.H. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys. 1989, 90:1007-1023.
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
    • Dunning, T.H.1
  • 95
    • 4143095330 scopus 로고
    • Electron affinities of the first-row atoms revisited. systematic basis sets and wave functions
    • Kendall R.A., Dunning T.H., Harrison R.J. Electron affinities of the first-row atoms revisited. systematic basis sets and wave functions. J. Chem. Phys. 1992, 96:6796-6806.
    • (1992) J. Chem. Phys. , vol.96 , pp. 6796-6806
    • Kendall, R.A.1    Dunning, T.H.2    Harrison, R.J.3
  • 96
    • 3843146349 scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
    • Woon D.E., Dunning T.H. Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon. J. Chem. Phys. 1993, 98:1358-1371.
    • (1993) J. Chem. Phys. , vol.98 , pp. 1358-1371
    • Woon, D.E.1    Dunning, T.H.2
  • 97
    • 36449006587 scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon
    • Woon D.E., Dunning T.H. Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon. J. Chem. Phys. 1995, 103:4572-4585.
    • (1995) J. Chem. Phys. , vol.103 , pp. 4572-4585
    • Woon, D.E.1    Dunning, T.H.2
  • 98
    • 0035366784 scopus 로고    scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
    • Dunning T.H., Peterson K.A., Wilson A.K. Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited. J. Chem. Phys. 2001, 114:9244-9253.
    • (2001) J. Chem. Phys. , vol.114 , pp. 9244-9253
    • Dunning, T.H.1    Peterson, K.A.2    Wilson, A.K.3
  • 99
    • 0037115801 scopus 로고    scopus 로고
    • Accurate correlation consistent basis sets for molecular core-valence correlation effects. The second row atoms Al-Ar, and the first row atoms B-Ne revisited
    • Peterson K.A., Dunning T.H. Accurate correlation consistent basis sets for molecular core-valence correlation effects. The second row atoms Al-Ar, and the first row atoms B-Ne revisited. J. Chem. Phys. 2002, 117:10548-10560.
    • (2002) J. Chem. Phys. , vol.117 , pp. 10548-10560
    • Peterson, K.A.1    Dunning, T.H.2
  • 100
    • 79251631464 scopus 로고    scopus 로고
    • Gaussian basis sets for use in correlated molecular calculations. VII. Valence and core-valence basis sets for Li, Na, Be, and Mg
    • Prascher B.P., Woon D.E., Peterson K.A., Dunning T.H., Wilson A.K. Gaussian basis sets for use in correlated molecular calculations. VII. Valence and core-valence basis sets for Li, Na, Be, and Mg. Theor. Chem. Acc. 2011, 128:69-82.
    • (2011) Theor. Chem. Acc. , vol.128 , pp. 69-82
    • Prascher, B.P.1    Woon, D.E.2    Peterson, K.A.3    Dunning, T.H.4    Wilson, A.K.5
  • 101
    • 0034300441 scopus 로고    scopus 로고
    • A road map for the calculation of molecular binding energies
    • Dunning T.H. A road map for the calculation of molecular binding energies. J. Phys. Chem. A 2000, 104:9062-9080.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 9062-9080
    • Dunning, T.H.1
  • 102
    • 0347151609 scopus 로고    scopus 로고
    • Systematically convergent basis sets with relativistic pseudopotentials. I. Correlation consistent basis sets for the post-d group 13-15 elements
    • Peterson K.A. Systematically convergent basis sets with relativistic pseudopotentials. I. Correlation consistent basis sets for the post-d group 13-15 elements. J. Chem. Phys. 2003, 119:11099-11112.
    • (2003) J. Chem. Phys. , vol.119 , pp. 11099-11112
    • Peterson, K.A.1
  • 103
    • 0346521279 scopus 로고    scopus 로고
    • Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16-18 elements
    • Peterson K.A., Figgen D., Goll E., Stoll H., Dolg M. Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16-18 elements. J. Chem. Phys. 2003, 119:11113-11123.
    • (2003) J. Chem. Phys. , vol.119 , pp. 11113-11123
    • Peterson, K.A.1    Figgen, D.2    Goll, E.3    Stoll, H.4    Dolg, M.5
  • 104
    • 78650671587 scopus 로고    scopus 로고
    • Molecular core-valence correlation effects involving the post-d elements Ga-Rn: benchmarks and new pseudopotential-based correlation consistent basis sets
    • (8 pages)
    • Peterson K.A., Yousaf K.E. Molecular core-valence correlation effects involving the post-d elements Ga-Rn: benchmarks and new pseudopotential-based correlation consistent basis sets. J. Chem. Phys. 2010, 133:174116. (8 pages).
    • (2010) J. Chem. Phys. , vol.133 , pp. 174116
    • Peterson, K.A.1    Yousaf, K.E.2
  • 105
    • 26444569404 scopus 로고    scopus 로고
    • Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
    • Peterson K.A., Puzzarini C. Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements. Theor. Chem. Acc. 2005, 114:283-296.
    • (2005) Theor. Chem. Acc. , vol.114 , pp. 283-296
    • Peterson, K.A.1    Puzzarini, C.2
  • 106
    • 34047140309 scopus 로고    scopus 로고
    • Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd
    • (12 pages)
    • Peterson K.A., Figgen D., Dolg M., Stoll H. Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd. J. Chem. Phys. 2007, 126:124101. (12 pages).
    • (2007) J. Chem. Phys. , vol.126 , pp. 124101
    • Peterson, K.A.1    Figgen, D.2    Dolg, M.3    Stoll, H.4
  • 107
    • 65149088239 scopus 로고    scopus 로고
    • Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt
    • (12 pages), Unpublished basis sets for the first row transition elements
    • Figgen D., Peterson K.A., Dolg M., Stoll H. Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt. J. Chem. Phys. 2009, 130:164108. (12 pages), Unpublished basis sets for the first row transition elements.
    • (2009) J. Chem. Phys. , vol.130 , pp. 164108
    • Figgen, D.1    Peterson, K.A.2    Dolg, M.3    Stoll, H.4
  • 108
    • 34548695882 scopus 로고    scopus 로고
    • Gaussian basis sets exhibiting systematic convergence to the complete basis set limit
    • Elsevier, Amsterdam, The Netherlands
    • Peterson K.A. Gaussian basis sets exhibiting systematic convergence to the complete basis set limit. Annual Reports in Computational Chemistry 2007, vol. 3. Elsevier, Amsterdam, The Netherlands.
    • (2007) Annual Reports in Computational Chemistry , vol.3
    • Peterson, K.A.1
  • 109
    • 19844374745 scopus 로고    scopus 로고
    • Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations
    • Schultz N.E., Zhao Y., Truhlar D.G. Databases for transition element bonding: metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations. J. Phys. Chem. A 2005, 109:4388-4403.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 4388-4403
    • Schultz, N.E.1    Zhao, Y.2    Truhlar, D.G.3
  • 110
    • 33745139466 scopus 로고    scopus 로고
    • Comparative assessment of density functional methods for 3d transition-metal chemistry
    • (6 pages)
    • Zhao Y., Truhlar D.G. Comparative assessment of density functional methods for 3d transition-metal chemistry. J. Chem. Phys. 2006, 124:224105. (6 pages).
    • (2006) J. Chem. Phys. , vol.124 , pp. 224105
    • Zhao, Y.1    Truhlar, D.G.2
  • 111
    • 84855459955 scopus 로고    scopus 로고
    • M11-L: a local density functional that provides improved accuracy for electronic structure calculations in chemistry and physics
    • Peverati R., Truhlar D.G. M11-L: a local density functional that provides improved accuracy for electronic structure calculations in chemistry and physics. J. Phys. Chem. Lett. 2012, 3:117-124.
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 117-124
    • Peverati, R.1    Truhlar, D.G.2
  • 112
    • 31544458461 scopus 로고    scopus 로고
    • The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry
    • (27 pages)
    • Furche F., Perdew J.P. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry. J. Chem. Phys. 2006, 124:044103. (27 pages).
    • (2006) J. Chem. Phys. , vol.124 , pp. 044103
    • Furche, F.1    Perdew, J.P.2
  • 113
    • 65649147173 scopus 로고    scopus 로고
    • Investigation of Gaussian4 theory for transition metal thermochemistry
    • Mayhall N.J., Raghavachari K., Redfern P.C., Curtiss L.A. Investigation of Gaussian4 theory for transition metal thermochemistry. J. Phys. Chem. A 2009, 113:5170-5175.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 5170-5175
    • Mayhall, N.J.1    Raghavachari, K.2    Redfern, P.C.3    Curtiss, L.A.4
  • 114
    • 84903065309 scopus 로고    scopus 로고
    • NIST-JANAF Thermochemical Tables, fourth ed. Mono. 9.
    • M.W. Chase Jr., NIST-JANAF Thermochemical Tables, fourth ed., J. Phys. Chem. Reference Data (Suppl. 1) (1998) Mono. 9.
    • (1998) J. Phys. Chem. Reference Data , Issue.SUPPL 1
    • Chase Jr, M.W.1
  • 118
    • 0000303320 scopus 로고
    • Mass spectrometric investigation of the sublimation of molybdenum dioxide
    • Burns R.P., DeMaria G., Drowart J., Grimley R.T. Mass spectrometric investigation of the sublimation of molybdenum dioxide. J. Chem. Phys. 1960, 32:1363-1366.
    • (1960) J. Chem. Phys. , vol.32 , pp. 1363-1366
    • Burns, R.P.1    DeMaria, G.2    Drowart, J.3    Grimley, R.T.4
  • 119
    • 0000109748 scopus 로고    scopus 로고
    • Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
    • Curtiss L.A., Raghavachari K., Redfern P.C., Pople J.A. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation. J. Chem. Phys. 1997, 106:1063-1079.
    • (1997) J. Chem. Phys. , vol.106 , pp. 1063-1079
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Pople, J.A.4
  • 121
    • 36148931496 scopus 로고
    • Quantum Electrodynamical Corrections to the Fine Structure of Helium
    • Douglas M., Kroll N.M. Quantum Electrodynamical Corrections to the Fine Structure of Helium. Ann. Phys. 1974, 82:89-155.
    • (1974) Ann. Phys. , vol.82 , pp. 89-155
    • Douglas, M.1    Kroll, N.M.2
  • 122
    • 0001246904 scopus 로고
    • Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations
    • Hess B.A. Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations. Phys. Rev. A 1985, 32:756-763.
    • (1985) Phys. Rev. A , vol.32 , pp. 756-763
    • Hess, B.A.1
  • 123
    • 26544478463 scopus 로고
    • Relativistic electron-structure calculations employing a two-component no-pair formalism with external-field projection operators
    • Hess B.A. Relativistic electron-structure calculations employing a two-component no-pair formalism with external-field projection operators. Phys. Rev. A 1986, 32:3742-3748.
    • (1986) Phys. Rev. A , vol.32 , pp. 3742-3748
    • Hess, B.A.1
  • 124
    • 80053993905 scopus 로고    scopus 로고
    • The Douglas-Kroll-Hess approach
    • Nakajima T. The Douglas-Kroll-Hess approach. Chem. Rev. 2012, 112:385-402.
    • (2012) Chem. Rev. , vol.112 , pp. 385-402
    • Nakajima, T.1
  • 125
    • 0035147918 scopus 로고    scopus 로고
    • Parallel Douglas-Kroll energy and gradients in NWChem: estimating scalar relativistic effects using Douglas-Kroll contracted basis sets
    • de Jong W.A., Harrison R.J., Dixon D.A. Parallel Douglas-Kroll energy and gradients in NWChem: estimating scalar relativistic effects using Douglas-Kroll contracted basis sets. J. Chem. Phys. 2001, 114:48-53.
    • (2001) J. Chem. Phys. , vol.114 , pp. 48-53
    • de Jong, W.A.1    Harrison, R.J.2    Dixon, D.A.3
  • 126
    • 24144464461 scopus 로고    scopus 로고
    • Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn
    • (15 pages)
    • Balabanov N.B., Peterson K.A. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn. J. Chem. Phys. 2005, 123:064107. (15 pages).
    • (2005) J. Chem. Phys. , vol.123 , pp. 064107
    • Balabanov, N.B.1    Peterson, K.A.2
  • 127
    • 0003392735 scopus 로고    scopus 로고
    • H to V, U.S. National Bureau of Standards Circular 467, U.S. Department of Commerce, National Technical Information Service, COM-72-50282, Washington, DC, 1949.
    • C.E. Moore, Atomic Energy Levels as Derived from the Analysis of Optical Spectra, vol. 1, H to V, U.S. National Bureau of Standards Circular 467, U.S. Department of Commerce, National Technical Information Service, COM-72-50282, Washington, DC, 1949.
    • Atomic Energy Levels as Derived from the Analysis of Optical Spectra , vol.1
    • Moore, C.E.1
  • 128
  • 132
    • 0004204702 scopus 로고
    • Clarendon Press, Oxford, UK, second ed.
    • Elmsley J. The Elements 1994, Clarendon Press, Oxford, UK. second ed.
    • (1994) The Elements
    • Elmsley, J.1
  • 134
    • 67649856906 scopus 로고    scopus 로고
    • Accurate thermochemistry for transition metal oxide clusters
    • Li S., Hennigan J.M., Dixon D.A., Peterson K.A. Accurate thermochemistry for transition metal oxide clusters. J. Phys. Chem. A 2009, 113:7861-7877.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 7861-7877
    • Li, S.1    Hennigan, J.M.2    Dixon, D.A.3    Peterson, K.A.4
  • 135
    • 0011207517 scopus 로고
    • Thermodynamics of the dimerization and trimerization of gaseous tungsten trioxide and molybdenum trioxide
    • Norman J.H., Staley H.G. Thermodynamics of the dimerization and trimerization of gaseous tungsten trioxide and molybdenum trioxide. J. Chem. Phys. 1965, 43:3804-3806.
    • (1965) J. Chem. Phys. , vol.43 , pp. 3804-3806
    • Norman, J.H.1    Staley, H.G.2
  • 137
    • 78249281642 scopus 로고    scopus 로고
    • Probing the electronic structure of early transition metal oxide clusters: molecular models towards mechanistic insights into oxide surfaces and catalysis
    • Zhai H.J., Wang L.S. Probing the electronic structure of early transition metal oxide clusters: molecular models towards mechanistic insights into oxide surfaces and catalysis. Chem. Phys. Lett. 2010, 500:185-195.
    • (2010) Chem. Phys. Lett. , vol.500 , pp. 185-195
    • Zhai, H.J.1    Wang, L.S.2
  • 138
    • 0035503983 scopus 로고    scopus 로고
    • - and CrOn (n=1-5) from photoelectron spectroscopy and density functional theory calculations gutsev
    • - and CrOn (n=1-5) from photoelectron spectroscopy and density functional theory calculations gutsev. J. Chem. Phys. 2001, 115:7935-7944.
    • (2001) J. Chem. Phys. , vol.115 , pp. 7935-7944
    • Jena, G.L.1    Zhai, P.2    Wang, L.S.H.J.3
  • 141
    • 33750472688 scopus 로고    scopus 로고
    • - (n = 1-7) using photoelectron spectroscopy
    • (9 pages)
    • - (n = 1-7) using photoelectron spectroscopy. J. Chem. Phys. 2006, 125:164315. (9 pages).
    • (2006) J. Chem. Phys. , vol.125 , pp. 164315
    • Zhai, H.J.1    Wang, L.S.2
  • 142
    • 42149130830 scopus 로고    scopus 로고
    • n (n=1-5): photoelectron spectroscopy and density functional calculations
    • n (n=1-5): photoelectron spectroscopy and density functional calculations. J. Am. Chem. Soc. 2008, 130:5167-5177.
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 5167-5177
    • Zhai, H.J.1    Li, S.2    Dixon, D.A.3    Wang, L.S.4
  • 143
    • 70350155589 scopus 로고    scopus 로고
    • - (M=Cr, W), from photoelectron spectroscopy and quantum chemical calculations
    • - (M=Cr, W), from photoelectron spectroscopy and quantum chemical calculations. J. Phys. Chem. A 2009, 113:11273-11288.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 11273-11288
    • Li, S.1    Zhai, H.J.2    Wang, L.S.3    Dixon, D.A.4
  • 144
    • 84861760240 scopus 로고    scopus 로고
    • - (M=Cr, W), from photoelectron spectroscopy and quantum chemical calculations
    • - (M=Cr, W), from photoelectron spectroscopy and quantum chemical calculations. J. Phys. Chem. A 2012, 116:5256-5271.
    • (2012) J. Phys. Chem. A , vol.116 , pp. 5256-5271
    • Li, S.1    Zhai, H.J.2    Wang, L.S.3    Dixon, D.A.4
  • 145
    • 33745470764 scopus 로고
    • Electron diffraction investigation of the molecular structures of the polymeric species of chromium trioxide and tungsten trioxide in the vapour phase
    • Ivanov A.A., Demidov A.V., Popenko N.I., Zasorin E.Z., Spiridonov V.P. Electron diffraction investigation of the molecular structures of the polymeric species of chromium trioxide and tungsten trioxide in the vapour phase. J. Mol. Struct. 1980, 63:121-125.
    • (1980) J. Mol. Struct. , vol.63 , pp. 121-125
    • Ivanov, A.A.1    Demidov, A.V.2    Popenko, N.I.3    Zasorin, E.Z.4    Spiridonov, V.P.5
  • 146
    • 0001288614 scopus 로고
    • Gas-phase oxidation of group 6 metal carbonyl anions
    • Hop C.E.C.A., McMahon T.B. Gas-phase oxidation of group 6 metal carbonyl anions. J. Am. Chem. Soc. 1992, 114:1237-1243.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 1237-1243
    • Hop, C.E.C.A.1    McMahon, T.B.2
  • 147
    • 0002255899 scopus 로고
    • Study of the mechanism of chromium cluster formation by laser microprobe mass spectrometry. Correlation with theoretical computations
    • Hachimi A., Poitevin E., Krier G., Muller J.F., Ruiz-Lopez M.F. Study of the mechanism of chromium cluster formation by laser microprobe mass spectrometry. Correlation with theoretical computations. Int. J. Mass Spectr. Ion Process. 1995, 144:23-45.
    • (1995) Int. J. Mass Spectr. Ion Process. , vol.144 , pp. 23-45
    • Hachimi, A.1    Poitevin, E.2    Krier, G.3    Muller, J.F.4    Ruiz-Lopez, M.F.5
  • 148
    • 0035944249 scopus 로고    scopus 로고
    • Speciation of chromium compounds by laser ablation/ionization mass spectrometry and a study of matrix effects
    • Aubriet F., Maunit B., Muller J.F. Speciation of chromium compounds by laser ablation/ionization mass spectrometry and a study of matrix effects. Int. J. Mass Spectr. 2001, 209:5-21.
    • (2001) Int. J. Mass Spectr. , vol.209 , pp. 5-21
    • Aubriet, F.1    Maunit, B.2    Muller, J.F.3
  • 149
    • 0037183075 scopus 로고    scopus 로고
    • 3 during their UV laser ablation/ionization
    • 3 during their UV laser ablation/ionization. J. Phys. Chem. A 2002, 106:6053-6059.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 6053-6059
    • Aubriet, F.1    Muller, J.F.2
  • 150
    • 0029973915 scopus 로고    scopus 로고
    • + in the gas phase: structure, electronic states, and the reactivity with hydrogen and hydrocarbons
    • + in the gas phase: structure, electronic states, and the reactivity with hydrogen and hydrocarbons. J. Am. Chem. Soc. 1996, 118:9941-9952.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 9941-9952
    • Fiedler, A.1    Kretzschmar, I.2    Schroder, D.3    Schwarz, H.4
  • 152
    • 0001550343 scopus 로고    scopus 로고
    • - molecular anions in solid neon
    • - molecular anions in solid neon. J. Chem. Phys. 1999, 111:4230-4238.
    • (1999) J. Chem. Phys. , vol.111 , pp. 4230-4238
    • Zhou, M.1    Andrews, L.2
  • 153
    • 0030576403 scopus 로고    scopus 로고
    • Ultraviolet negative-ion photoelectron spectroscopy of the chromium oxide negative ion
    • Wenthold P.G., Gunion R.F., Lineberger W.C. Ultraviolet negative-ion photoelectron spectroscopy of the chromium oxide negative ion. Chem. Phys. Lett. 1996, 258:101-106.
    • (1996) Chem. Phys. Lett. , vol.258 , pp. 101-106
    • Wenthold, P.G.1    Gunion, R.F.2    Lineberger, W.C.3
  • 154
    • 0001599251 scopus 로고    scopus 로고
    • Ultraviolet photoelectron spectroscopy of the chromium dioxide negative ion
    • Wenthold P.G., Jonas K.L., Lineberger W.C. Ultraviolet photoelectron spectroscopy of the chromium dioxide negative ion. J. Chem. Phys. 1997, 106:9961-9962.
    • (1997) J. Chem. Phys. , vol.106 , pp. 9961-9962
    • Wenthold, P.G.1    Jonas, K.L.2    Lineberger, W.C.3
  • 155
    • 0034731380 scopus 로고    scopus 로고
    • Determination of the metastable dissociation pathways for chromium/oxygen cluster ions sputtered from potassium chromate and dichromate using the ion-neutral correlation method
    • Van Stipdonk M.J., Justes D.R., Schweikert E.A. Determination of the metastable dissociation pathways for chromium/oxygen cluster ions sputtered from potassium chromate and dichromate using the ion-neutral correlation method. Int. J. Mass Spectr. 2000, 203:59-69.
    • (2000) Int. J. Mass Spectr. , vol.203 , pp. 59-69
    • Van Stipdonk, M.J.1    Justes, D.R.2    Schweikert, E.A.3
  • 160
    • 0037501740 scopus 로고    scopus 로고
    • Chemical control of magnetism: oxidation-induced ferromagnetic spin coupling in the chromium dimer evidenced by photoelectron spectroscopy
    • (4 pages)
    • Tono K., Terasaki A., Ohta T., Kondow T. Chemical control of magnetism: oxidation-induced ferromagnetic spin coupling in the chromium dimer evidenced by photoelectron spectroscopy. Phys. Rev. Lett. 2003, 90:133402. (4 pages).
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 133402
    • Tono, K.1    Terasaki, A.2    Ohta, T.3    Kondow, T.4
  • 162
    • 0001070922 scopus 로고    scopus 로고
    • 2: chromium cluster oxide and dioxide bond energies
    • 2: chromium cluster oxide and dioxide bond energies. J. Chem. Phys. 1998, 108:8062-8074.
    • (1998) J. Chem. Phys. , vol.108 , pp. 8062-8074
    • Griffin, J.B.1    Armentrout, P.B.2
  • 163
  • 164
  • 165
    • 16644371065 scopus 로고    scopus 로고
    • Chemically induced oscillatory exchange coupling in chromium oxide clusters
    • Reddy B.V., Khanna S.N. Chemically induced oscillatory exchange coupling in chromium oxide clusters. Phys. Rev. Lett. 1999, 83:3170-3173.
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 3170-3173
    • Reddy, B.V.1    Khanna, S.N.2
  • 167
    • 0031997514 scopus 로고    scopus 로고
    • Density functional study of chromium oxide clusters: structures, bonding, vibrations, and stability
    • Veliah S., Xiang K.H., Pandey R., Recio J.M., Newsam J.M. Density functional study of chromium oxide clusters: structures, bonding, vibrations, and stability. J. Phys. Chem. B 1998, 102:1126-1135.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 1126-1135
    • Veliah, S.1    Xiang, K.H.2    Pandey, R.3    Recio, J.M.4    Newsam, J.M.5
  • 170
    • 33745464561 scopus 로고    scopus 로고
    • Molecular and electronic structures, Brönsted basicities, and Lewis acidities of group VIB transition metal oxide clusters
    • Li S., Dixon D.A. Molecular and electronic structures, Brönsted basicities, and Lewis acidities of group VIB transition metal oxide clusters. J. Phys. Chem. A 2006, 110:6231-6244.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 6231-6244
    • Li, S.1    Dixon, D.A.2
  • 171
    • 79955429001 scopus 로고    scopus 로고
    • Molecular structures, acid-base properties, and formations of group 6 transition metal hydroxides
    • Li S., Guenther C.L., Kelley M.S., Dixon D.A. Molecular structures, acid-base properties, and formations of group 6 transition metal hydroxides. J. Phys. Chem. C 2011, 115:8072-8103.
    • (2011) J. Phys. Chem. C , vol.115 , pp. 8072-8103
    • Li, S.1    Guenther, C.L.2    Kelley, M.S.3    Dixon, D.A.4
  • 174
    • 40549111675 scopus 로고    scopus 로고
    • Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: a comparative density functional study
    • (12 pages)
    • Uzunova E.L., Mikosch H., Nikolov G.St. Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: a comparative density functional study. J. Chem. Phys. 2008, 128:094307. (12 pages).
    • (2008) J. Chem. Phys. , vol.128 , pp. 094307
    • Uzunova, E.L.1    Mikosch, H.2    Nikolov, G.3
  • 175
    • 80053397810 scopus 로고    scopus 로고
    • 4 clusters of the 3d elements
    • 4 clusters of the 3d elements. J. Phys. Chem. A 2011, 115:10665-10678.
    • (2011) J. Phys. Chem. A , vol.115 , pp. 10665-10678
    • Uzunova, E.L.1
  • 176
    • 79952012619 scopus 로고    scopus 로고
    • Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study
    • Pradhan K., Gutsev G.L., Weatherford C.A., Jena P., Uzunova E.L. Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study. J. Phys. Chem. A 2011, 115:1320-1330.
    • (2011) J. Phys. Chem. A , vol.115 , pp. 1320-1330
    • Pradhan, K.1    Gutsev, G.L.2    Weatherford, C.A.3    Jena, P.4    Uzunova, E.L.5
  • 177
    • 77955973102 scopus 로고    scopus 로고
    • Comparative DFT study of structure and magnetism of TMnOm (TM=Sc-Mn, n=1-2, m=1-6) clusters
    • Wang Y., Gong X., Wang J. Comparative DFT study of structure and magnetism of TMnOm (TM=Sc-Mn, n=1-2, m=1-6) clusters. Phys. Chem. Chem. Phys. 2010, 12:2471-2477.
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 2471-2477
    • Wang, Y.1    Gong, X.2    Wang, J.3
  • 178
    • 79954569517 scopus 로고    scopus 로고
    • A systematic study of neutral and charged 3d-metal trioxides and tetraoxides
    • (10 pages)
    • Pradhan K., Gutsev G.L., Weatherford C.A., Jena P. A systematic study of neutral and charged 3d-metal trioxides and tetraoxides. J. Chem. Phys. 2011, 134:144305. (10 pages).
    • (2011) J. Chem. Phys. , vol.134 , pp. 144305
    • Pradhan, K.1    Gutsev, G.L.2    Weatherford, C.A.3    Jena, P.4
  • 183
    • 31144473610 scopus 로고    scopus 로고
    • 8 as a molecular model for O-deficient defect sites in tungsten oxides
    • 8 as a molecular model for O-deficient defect sites in tungsten oxides. J. Phys. Chem. A 2006, 110:85-92.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 85-92
    • Huang, X.1    Zhai, H.J.2    Li, J.3    Wang, L.S.4
  • 187
    • 57449110192 scopus 로고    scopus 로고
    • Cluster reactivity experiments: employing mass spectrometry to investigate the molecular level details of catalytic oxidation reactions
    • Johnson G.E., Tyo E.C., Castleman A.W. Cluster reactivity experiments: employing mass spectrometry to investigate the molecular level details of catalytic oxidation reactions. Proc. Natl. Acad. Sci. USA 2008, 105:18108-18113.
    • (2008) Proc. Natl. Acad. Sci. USA , vol.105 , pp. 18108-18113
    • Johnson, G.E.1    Tyo, E.C.2    Castleman, A.W.3
  • 188
    • 84856739736 scopus 로고    scopus 로고
    • Properties of metal oxide clusters in non-traditional oxidation states
    • Mann J.E., Mayhall N.J., Jarrold C.C. Properties of metal oxide clusters in non-traditional oxidation states. Chem. Phys. Lett. 2012, 525-526:1-12.
    • (2012) Chem. Phys. Lett. , pp. 1-12
    • Mann, J.E.1    Mayhall, N.J.2    Jarrold, C.C.3
  • 189
    • 22944473629 scopus 로고    scopus 로고
    • y (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations
    • (9 pages)
    • y (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations. J. Chem. Phys. 2005, 122:094313. (9 pages).
    • (2005) J. Chem. Phys. , vol.122 , pp. 094313
    • Yoder, B.L.1    Maze, J.T.2    Raghavachari, K.3    Jarrold, C.C.4
  • 191
    • 34250026214 scopus 로고    scopus 로고
    • Reactions between CO and small molybdenum suboxide cluster anions
    • (8 pages)
    • Wyrwas R.B., Robertson E.M., Jarrold C.C. Reactions between CO and small molybdenum suboxide cluster anions. J. Chem. Phys. 2007, 126:214309. (8 pages).
    • (2007) J. Chem. Phys. , vol.126 , pp. 214309
    • Wyrwas, R.B.1    Robertson, E.M.2    Jarrold, C.C.3
  • 193
    • 60349132232 scopus 로고    scopus 로고
    • Electronic structure of coordinately unsaturated molybdenum and molybdenum oxide carbonyls
    • (11 pages)
    • Hossain E., Jarrold C.C. Electronic structure of coordinately unsaturated molybdenum and molybdenum oxide carbonyls. J. Chem. Phys. 2009, 130:064301. (11 pages).
    • (2009) J. Chem. Phys. , vol.130 , pp. 064301
    • Hossain, E.1    Jarrold, C.C.2
  • 196
    • 68249112284 scopus 로고    scopus 로고
    • 6 (x=0-3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations
    • (13 pages)
    • 6 (x=0-3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations. J. Chem. Phys. 2009, 131:044310. (13 pages).
    • (2009) J. Chem. Phys. , vol.131 , pp. 044310
    • Rothgeb, D.W.1    Hossain, E.2    Kuo, A.T.3    Troyer, J.L.4    Jarrold, C.C.5
  • 198
    • 77955737799 scopus 로고    scopus 로고
    • 2 reduction by group 6 transition metal suboxide cluster anions
    • (10 pages)
    • 2 reduction by group 6 transition metal suboxide cluster anions. J. Chem. Phys. 2010, 133:024305. (10 pages).
    • (2010) J. Chem. Phys. , vol.133 , pp. 024305
    • Hossain, E.1    Rothgeb, D.W.2    Jarrold, C.C.3
  • 200
    • 77955781574 scopus 로고    scopus 로고
    • 2 production from reactions between water and small molybdenum suboxide cluster anions
    • (10 pages)
    • 2 production from reactions between water and small molybdenum suboxide cluster anions. J. Chem. Phys. 2010, 133:054305. (10 pages).
    • (2010) J. Chem. Phys. , vol.133 , pp. 054305
    • Rothgeb, D.W.1    Mann, J.E.2    Jarrold, C.C.3
  • 201
    • 77958454917 scopus 로고    scopus 로고
    • Proton hop paving the way for hydroxyl migration: theoretical elucidation of fluxionality in transition-metal oxide clusters
    • Ramabhadran R.O., Mayhall N.J., Raghavachari K. Proton hop paving the way for hydroxyl migration: theoretical elucidation of fluxionality in transition-metal oxide clusters. J. Phys. Chem. Lett. 2010, 1:3066-3071.
    • (2010) J. Phys. Chem. Lett. , vol.1 , pp. 3066-3071
    • Ramabhadran, R.O.1    Mayhall, N.J.2    Raghavachari, K.3
  • 204
    • 80052938001 scopus 로고    scopus 로고
    • Structures of trimetallic molybdenum and tungsten suboxide cluster anions
    • (12 pages)
    • Rothgeb D.W., Mann J.E., Waller S.E., Jarrold C.C. Structures of trimetallic molybdenum and tungsten suboxide cluster anions. J. Chem. Phys. 2011, 135:104312. (12 pages).
    • (2011) J. Chem. Phys. , vol.135 , pp. 104312
    • Rothgeb, D.W.1    Mann, J.E.2    Waller, S.E.3    Jarrold, C.C.4
  • 205
    • 84863623484 scopus 로고    scopus 로고
    • Fluxionality in the chemical reactions of transition metal oxide clusters: the role of metal, spin state, and the reactant molecule
    • Ramabhadran R.O., Becher E.L., Chowdhury A., Raghavachari K. Fluxionality in the chemical reactions of transition metal oxide clusters: the role of metal, spin state, and the reactant molecule. J. Phys. Chem. A 2012, 116:7189-7195.
    • (2012) J. Phys. Chem. A , vol.116 , pp. 7189-7195
    • Ramabhadran, R.O.1    Becher, E.L.2    Chowdhury, A.3    Raghavachari, K.4
  • 206
    • 33646177622 scopus 로고    scopus 로고
    • 2 (X=O and S) clusters-a comparative study by first principles calculations
    • 2 (X=O and S) clusters-a comparative study by first principles calculations. Chem. Phys. Lett. 2006, 423:202-207.
    • (2006) Chem. Phys. Lett. , vol.423 , pp. 202-207
    • Murugan, P.1    Kumar, V.2    Kawazoe, Y.3    Ota, N.4
  • 208
    • 80051883515 scopus 로고    scopus 로고
    • Structural and electronic properties of tungsten trioxides: from cluster to solid surface
    • Jin H., Zhu J., Hu J., Li Y., Zhang Y., Huang X., Ding K., Chen W. Structural and electronic properties of tungsten trioxides: from cluster to solid surface. Theor. Chem. Acc. 2011, 130:103-114.
    • (2011) Theor. Chem. Acc. , vol.130 , pp. 103-114
    • Jin, H.1    Zhu, J.2    Hu, J.3    Li, Y.4    Zhang, Y.5    Huang, X.6    Ding, K.7    Chen, W.8
  • 210
    • 0037142725 scopus 로고    scopus 로고
    • Studies of metal oxide clusters: elucidating reactive sites responsible for the activity of transition metal oxide catalysts
    • Zemski Z.A., Justes D.R., Castleman A.W. Studies of metal oxide clusters: elucidating reactive sites responsible for the activity of transition metal oxide catalysts. J. Phys. Chem. B 2002, 106:6136-6148.
    • (2002) J. Phys. Chem. B , vol.106 , pp. 6136-6148
    • Zemski, Z.A.1    Justes, D.R.2    Castleman, A.W.3
  • 211
    • 0345328713 scopus 로고    scopus 로고
    • A computational and experimental study of anhydrous phosphotungstic acid and its interaction with water molecules
    • Janik M.J., Campbell K.A., Bardin B.B., Davis R.J., Neurock M. A computational and experimental study of anhydrous phosphotungstic acid and its interaction with water molecules. Appl. Catal. A 2003, 256:51-68.
    • (2003) Appl. Catal. A , vol.256 , pp. 51-68
    • Janik, M.J.1    Campbell, K.A.2    Bardin, B.B.3    Davis, R.J.4    Neurock, M.5
  • 213
    • 33644764310 scopus 로고    scopus 로고
    • 2 from ab initio molecular orbital theory
    • 2 from ab initio molecular orbital theory. J. Phys. Chem. A 2006, 110:1968-1974.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 1968-1974
    • Dixon, D.A.1    Arduengo, A.J.2
  • 214
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38:3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 215
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • Perdew J.P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 1986, 33:8822-8824.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 216
    • 0018470610 scopus 로고
    • Interband transitions of semiconducting oxides determined from photoelectrolysis spectra
    • Koffyberg F.P., Dwight K., Wold A. Interband transitions of semiconducting oxides determined from photoelectrolysis spectra. Solid State Commun. 1979, 30:433-437.
    • (1979) Solid State Commun. , vol.30 , pp. 433-437
    • Koffyberg, F.P.1    Dwight, K.2    Wold, A.3
  • 218
    • 0029404998 scopus 로고
    • Studies on spray pyrolyzed molybdenum trioxide thin films
    • Patil P.S., Patil R.S. Studies on spray pyrolyzed molybdenum trioxide thin films. Bull. Mater. Sci. 1995, 18:911-916.
    • (1995) Bull. Mater. Sci. , vol.18 , pp. 911-916
    • Patil, P.S.1    Patil, R.S.2
  • 219
    • 0242296367 scopus 로고
    • Electrical properties of the semiconductor materials molybdenum and tungsten trioxides
    • Hanna A.A., Khilla M.A. Electrical properties of the semiconductor materials molybdenum and tungsten trioxides. Thermochimica. Acta 1983, 65:311-320.
    • (1983) Thermochimica. Acta , vol.65 , pp. 311-320
    • Hanna, A.A.1    Khilla, M.A.2
  • 220
    • 0030219382 scopus 로고    scopus 로고
    • Physical properties of evaporated molybdenum oxide films
    • Miyata N., Suzuki T., Ohyama R. Physical properties of evaporated molybdenum oxide films. Thin Solid Film 1996, 281-282:218-222.
    • (1996) Thin Solid Film , pp. 218-222
    • Miyata, N.1    Suzuki, T.2    Ohyama, R.3
  • 221
    • 2142810248 scopus 로고    scopus 로고
    • Optical, structural and photoelectron spectroscopic studies on amorphous and crystalline molybdenum oxide thin films
    • Sian T.S., Reddy G.B. Optical, structural and photoelectron spectroscopic studies on amorphous and crystalline molybdenum oxide thin films. Solar Energy Mater. Solar Cells 2004, 82:375-386.
    • (2004) Solar Energy Mater. Solar Cells , vol.82 , pp. 375-386
    • Sian, T.S.1    Reddy, G.B.2
  • 225
    • 84862909181 scopus 로고    scopus 로고
    • Preparation, characterization, and catalytic properties of tungsten trioxide cyclic trimers on FeO(111)/Pt(111)
    • Li S.C., Li Z., Zhang Z., Kay B.D., Rousseau R.J., Dohnalek Z. Preparation, characterization, and catalytic properties of tungsten trioxide cyclic trimers on FeO(111)/Pt(111). J. Phys. Chem. C 2012, 116:908-916.
    • (2012) J. Phys. Chem. C , vol.116 , pp. 908-916
    • Li, S.C.1    Li, Z.2    Zhang, Z.3    Kay, B.D.4    Rousseau, R.J.5    Dohnalek, Z.6
  • 236
    • 18844427298 scopus 로고    scopus 로고
    • Polyhedral vanadium oxide cages: infrared spectra of cluster anions and size-induced d electron localization
    • Asmis K.R., Santambrogio G., Brummer M., Sauer J. Polyhedral vanadium oxide cages: infrared spectra of cluster anions and size-induced d electron localization. Angew. Chem. Int. Ed. 2005, 44:3122-3125.
    • (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 3122-3125
    • Asmis, K.R.1    Santambrogio, G.2    Brummer, M.3    Sauer, J.4
  • 237
    • 0043230249 scopus 로고
    • Preparation and characterization of diκ-sulfido binuclear compounds of W(IV) and W(V). Unambiguous examples of formal single and double tungsten atoms
    • Bino A., Cotton F.A., Dori Z., Sekutowski J.C. Preparation and characterization of diκ-sulfido binuclear compounds of W(IV) and W(V). Unambiguous examples of formal single and double tungsten atoms. Inorg. Chem. 1978, 17:2946-2950.
    • (1978) Inorg. Chem. , vol.17 , pp. 2946-2950
    • Bino, A.1    Cotton, F.A.2    Dori, Z.3    Sekutowski, J.C.4
  • 239
    • 0001114261 scopus 로고
    • Hexacarbonyl(fulvalene)ditungsten(W-W). A stretched tungsten-tungsten single bond
    • Abrahamson H.B., Heeg M.J. Hexacarbonyl(fulvalene)ditungsten(W-W). A stretched tungsten-tungsten single bond. Inorg. Chem. 1984, 23:2281-2286.
    • (1984) Inorg. Chem. , vol.23 , pp. 2281-2286
    • Abrahamson, H.B.1    Heeg, M.J.2
  • 241
    • 3543098732 scopus 로고    scopus 로고
    • Formation of dimers that contain unbridged W(IV)/W(IV) double bonds
    • Lopez L.P.H., Schrock R.R. Formation of dimers that contain unbridged W(IV)/W(IV) double bonds. J. Am. Chem. Soc. 2004, 126:9526.
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 9526
    • Lopez, L.P.H.1    Schrock, R.R.2
  • 244
    • 0011168926 scopus 로고
    • Mass spectrometric study of gaseous molybdenum, tungsten, and uranium oxides
    • DeMaria G., Burns R.P., Drowart J., Inghram M.G. Mass spectrometric study of gaseous molybdenum, tungsten, and uranium oxides. J. Chem. Phys. 1960, 32:1373-1377.
    • (1960) J. Chem. Phys. , vol.32 , pp. 1373-1377
    • DeMaria, G.1    Burns, R.P.2    Drowart, J.3    Inghram, M.G.4
  • 245
    • 0007269893 scopus 로고
    • Vaporization of beryllium oxide and its reaction with tungsten
    • Chupka W.A., Berkowitz J., Giese C.F. Vaporization of beryllium oxide and its reaction with tungsten. J. Chem. Phys. 1959, 30:827-834.
    • (1959) J. Chem. Phys. , vol.30 , pp. 827-834
    • Chupka, W.A.1    Berkowitz, J.2    Giese, C.F.3
  • 246
    • 0000218516 scopus 로고
    • A thermodynamic study of the tungsten-oxygen system at high temperatures
    • Ackermann R.J., Rauh E.G. A thermodynamic study of the tungsten-oxygen system at high temperatures. J. Phys. Chem. 1963, 67:2596-2601.
    • (1963) J. Phys. Chem. , vol.67 , pp. 2596-2601
    • Ackermann, R.J.1    Rauh, E.G.2
  • 249
    • 0032366914 scopus 로고    scopus 로고
    • Evaluated gas phase basicities and proton affinities of molecules: an update
    • Hunter E.P.I., Lias S.G. Evaluated gas phase basicities and proton affinities of molecules: an update. J. Phys. Chem. Ref. Data 1998, 27:413-656.
    • (1998) J. Phys. Chem. Ref. Data , vol.27 , pp. 413-656
    • Hunter, E.P.I.1    Lias, S.G.2
  • 250
    • 5244245983 scopus 로고
    • A correlation of reaction rates
    • Hammond G.S. A correlation of reaction rates. J. Am. Chem. Soc. 1955, 77:334-338.
    • (1955) J. Am. Chem. Soc. , vol.77 , pp. 334-338
    • Hammond, G.S.1
  • 251
    • 33947343179 scopus 로고
    • Acid and basic catalysis
    • Brønsted J.N. Acid and basic catalysis. Chem. Rev. 1928, 5:231-338.
    • (1928) Chem. Rev. , vol.5 , pp. 231-338
    • Brønsted, J.N.1
  • 252
    • 37049147605 scopus 로고
    • Some applications of the transition state method to the calculation of reaction velocities, especially in solution
    • Evans M.G., Polanyi M. Some applications of the transition state method to the calculation of reaction velocities, especially in solution. Trans. Faraday Soc. 1935, 31:875-894.
    • (1935) Trans. Faraday Soc. , vol.31 , pp. 875-894
    • Evans, M.G.1    Polanyi, M.2


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