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Volumn 2, Issue 6, 2006, Pages 1510-1519

Performance of the effective core potentials of Ca, Hg, and Pb in complexes with ligands containing N and O donor atoms

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EID: 33846225285     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct050319f     Document Type: Article
Times cited : (16)

References (76)
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    • Martell, A. E.; Hancock, R. D. Introductory overview. In Metal Complexes in Aqueous Solutions; Fackler, J. P., Jr., Ed.; Plenum: New York, 1996; Modern Inorg. Chem. No. 7, pp 1-14.
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    • (c) Szabo, A.; Ostlund, N. S. The Hartree-Fock approximation. In Modern Quantum Chemistry, 1st ed.; Dover Publications Inc.: Mineola, NY, 1996; pp 108-230.
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    • Szabo, A.; Ostlund, N. S. Many-body perturbation theory. In Modern Quantum Chemistry, 1st ed.; Dover Publications Inc.: Mineola, NY, 1996; pp 320-379.
    • (d) Szabo, A.; Ostlund, N. S. Many-body perturbation theory. In Modern Quantum Chemistry, 1st ed.; Dover Publications Inc.: Mineola, NY, 1996; pp 320-379.
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    • Density-functional theory
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    • Parr, R. G.; Yang, W. Density-functional theory. In Density-Functional Theory of Atoms and Molecules, 1st ed.; Breslow, R., Goodenough, J. B., Halpern, J., Rowlinson, J. S., Eds.; Oxford University Press: New York, 1989; International series of monographs on chemistry No. 16, pp 47-69.
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    • Slater, J.C.1
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    • The basis sets employed was provided by, Nakajima in a personal communication
    • (b) The basis sets employed was provided by Dr. Nakajima in a personal communication,
    • Dr1
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    • Personal communication with Dr. Nakajima
    • (c) Personal communication with Dr. Nakajima.
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    • (a) Hess, B. A. Phys. Rev. A 1986, 33, 3742-3748.
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    • Aprà, E, Windus, T. L, Straatsma, T. P, Bylaska, E. J, de Jong, W, Hirata, S, Valiev, M, Hackler, M, Pollack, L, Kowalski, K, Harrison, R, Dupuis, M, Smith, D. M. A, Nieplocha, J, Tipparaju V, Krishnan, M, Auer, A. A, Brown, E, Cisneros, G, Fann, G, Fruchtl, H, Garza, J, Hirao, K, Kendall, R, Nichols, J, Tsemekhman, K, Wolinski, K, Anchell, J, Bernholdt, D, Borowski, P, Clark, T, Clerc, D, Dachsel, H, Deegan, M, Dyall, K, Elwood, D, Glendening, E, Gutowski, M, Hess, A, Jaffe, J, Johnson, B, Ju, J, Kobayashi, R, Kutteh, R, Lin, Z, Littlefield, R, Long, X, Meng, B, Nakajima, T, Niu, S, Rosing, M, Sandrone, G, Stave, M, Taylor, H, Thomas, G, van Lenthe, J, Wong, A, Zhang, Z. NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.5; Pacific Northwest National Laboratory: Richland, WA 99352-0999, U.S.A, 2003
    • (a) Aprà, E.; Windus, T. L.; Straatsma, T. P.; Bylaska, E. J.; de Jong, W.; Hirata, S.; Valiev, M.; Hackler, M.; Pollack, L.; Kowalski, K.; Harrison, R.; Dupuis, M.; Smith, D. M. A.; Nieplocha, J.; Tipparaju V.; Krishnan, M.; Auer, A. A.; Brown, E.; Cisneros, G.; Fann, G.; Fruchtl, H.; Garza, J.; Hirao, K.; Kendall, R.; Nichols, J.; Tsemekhman, K.; Wolinski, K.; Anchell, J.; Bernholdt, D.; Borowski, P.; Clark, T.; Clerc, D.; Dachsel, H.; Deegan, M.; Dyall, K.; Elwood, D.; Glendening, E.; Gutowski, M.; Hess, A.; Jaffe, J.; Johnson, B.; Ju, J.; Kobayashi, R.; Kutteh, R.; Lin, Z.; Littlefield, R.; Long, X.; Meng, B.; Nakajima, T.; Niu, S.; Rosing, M.; Sandrone, G.; Stave, M.; Taylor, H.; Thomas, G.; van Lenthe, J.; Wong, A.; Zhang, Z. NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.5; Pacific Northwest National Laboratory: Richland, WA 99352-0999, U.S.A., 2003.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.