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Volumn 101, Issue 47, 1997, Pages 8956-8958

Molecular structure and C-O stretch frequencies of the cobalt carbonyls Co(CO)n, n = 1, 4, as studied by density functional theory

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON SPIN RESONANCE SPECTROSCOPY; INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS;

EID: 0031273909     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9728565     Document Type: Article
Times cited : (18)

References (34)
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    • Ph.D. Thesis, Vrije Universiteit Amsterdam
    • Amsterdam Density Functional (ADF). Dept. of Theoretical Chemistry, Vrije Universiteit, de Boelelaan 1083, 1081 HV Amsterdam, the Netherlands. The method is described in the following publications: Baerends, E.-J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41. Baerends, E.-J., Ph.D. Thesis, Vrije Universiteit Amsterdam, 1975. Ravenek, W. in "Algorithms and Applications on Vector and Parallel Computers"; te Riele, H. J. J.; Dekker, Th. J.; van de Vorst, H. A., Eds.; Elsevier: Amsterdam, 1987. Boerrigter, P. M.; te Velde, G.; Baerends, E.-J. Int. J. Quantum Chem. 1988, 33, 87.
    • (1975)
    • Baerends, E.-J.1
  • 17
    • 0004124784 scopus 로고
    • te Riele, H. J. J.; Dekker, Th. J.; van de Vorst, H. A., Eds.; Elsevier: Amsterdam
    • Amsterdam Density Functional (ADF). Dept. of Theoretical Chemistry, Vrije Universiteit, de Boelelaan 1083, 1081 HV Amsterdam, the Netherlands. The method is described in the following publications: Baerends, E.-J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41. Baerends, E.-J., Ph.D. Thesis, Vrije Universiteit Amsterdam, 1975. Ravenek, W. in "Algorithms and Applications on Vector and Parallel Computers"; te Riele, H. J. J.; Dekker, Th. J.; van de Vorst, H. A., Eds.; Elsevier: Amsterdam, 1987. Boerrigter, P. M.; te Velde, G.; Baerends, E.-J. Int. J. Quantum Chem. 1988, 33, 87.
    • (1987) Algorithms and Applications on Vector and Parallel Computers
    • Ravenek, W.1
  • 18
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    • Amsterdam Density Functional (ADF). Dept. of Theoretical Chemistry, Vrije Universiteit, de Boelelaan 1083, 1081 HV Amsterdam, the Netherlands. The method is described in the following publications: Baerends, E.-J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41. Baerends, E.-J., Ph.D. Thesis, Vrije Universiteit Amsterdam, 1975. Ravenek, W. in "Algorithms and Applications on Vector and Parallel Computers"; te Riele, H. J. J.; Dekker, Th. J.; van de Vorst, H. A., Eds.; Elsevier: Amsterdam, 1987. Boerrigter, P. M.; te Velde, G.; Baerends, E.-J. Int. J. Quantum Chem. 1988, 33, 87.
    • (1988) Int. J. Quantum Chem. , vol.33 , pp. 87
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  • 24
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    • Washington, DC
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