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Volumn 113, Issue 4, 2009, Pages 1474-1485

Quantum-chemical comprehensive study of the organophosphorus compounds adsorption on zinc oxide surfaces

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO CALCULATIONS; ADSORPTION COMPLEXES; ADSORPTION ENERGIES; ADSORPTION SITES; ATOMIC CHARGES; COMPREHENSIVE STUDIES; DENSITY FUNCTIONAL; DIFFERENT SIZES; DIMETHYL METHYL PHOSPHONATE; INTER-MOLECULAR INTERACTIONS; INTERACTION ENERGIES; MOLECULAR ADSORPTIONS; MOLECULAR CLUSTERS; NERVE AGENTS; NON-POLAR; OPTIMIZED GEOMETRIES; ORGANOPHOSPHORUS COMPOUNDS; OXIDE SURFACES; PLESSET PERTURBATION THEORIES; SECOND ORDERS; ZNO; ZNO SURFACES;

EID: 65249178997     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp807744a     Document Type: Article
Times cited : (19)

References (83)
  • 11
    • 0000881270 scopus 로고
    • 2nd Edition; Interscience Publishers: New York
    • Wyckoff, R. W. G. Crystal Structures, 2nd Edition; Interscience Publishers: New York, 1965; Vol. I, p 111.
    • (1965) Crystal Structures , vol.1 , pp. 111
    • Wyckoff, R.W.G.1
  • 12
    • 0003524125 scopus 로고
    • Springer-Verlag: Berlin, Germany
    • Landolt-Börnstein, New Series; Springer-Verlag: Berlin, Germany, 1982; Vol. III/17b, p 35.
    • (1982) Landolt-Börnstein, New Series , vol.III 17b , pp. 35
  • 22
    • 65249087422 scopus 로고    scopus 로고
    • Koper, O, Klabunde, K. J, Klabunde, J. S. Nanoscale Materials, Inc. ReactiVe nanoparticles as destructiVe adsorbents for biological and chemical contamination, U.S. Patent 6,417,423, 2002, p 21
    • Koper, O.; Klabunde, K. J.; Klabunde, J. S. Nanoscale Materials, Inc. ReactiVe nanoparticles as destructiVe adsorbents for biological and chemical contamination, U.S. Patent 6,417,423, 2002, p 21.
  • 23
    • 65249129889 scopus 로고    scopus 로고
    • Nanometer sized metal oxide particles for ambient temperature adsorption of toxic chemicals,
    • U.S. Patent 5,990,373, November 23, p 56
    • Klabunde, K. J. Nanometer sized metal oxide particles for ambient temperature adsorption of toxic chemicals, U.S. Patent 5,990,373, November 23, 1999, p 56.
    • (1999)
    • Klabunde, K.J.1
  • 42
  • 51
    • 0000189651 scopus 로고    scopus 로고
    • Be52cke, A. D. J. Chem. Phys. 1993, 98, 5648.
    • Be52cke, A. D. J. Chem. Phys. 1993, 98, 5648.
  • 52
    • 33745770836 scopus 로고    scopus 로고
    • Hay,53 P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.
    • Hay,53 P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.
  • 53
    • 0006073669 scopus 로고    scopus 로고
    • Wadt, 54W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
    • Wadt, 54W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
  • 55
    • 65249113345 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, 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, J. E, Hratchian, H. P, Cross, J. B, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keith, T, Al-L
    • Frisch, M. J. ; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; 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, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C. Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.


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