메뉴 건너뛰기




Volumn 108, Issue 4, 2008, Pages 631-650

Theory of chemical bonds in metalloenzymes. VII. Hybrid-density functional theory studies on the electronic structures of P450

Author keywords

Density functional theory; Electronic structures; Natural orbital analysis; P450; Reaction mechanisms

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GROUND STATE; MAGNETIC PROPERTIES;

EID: 38449120388     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21547     Document Type: Article
Times cited : (22)

References (55)
  • 1
    • 14644394700 scopus 로고    scopus 로고
    • Messerschmidt, A, Huber, R, Poulos, T, Wieghardt, K, Eds, Wiley: Oxford
    • Li, H. In Handbook of Metalloproteins; Messerschmidt, A., Huber, R., Poulos, T., Wieghardt, K., Eds.; Wiley: Oxford, 2001; p 267.
    • (2001) Handbook of Metalloproteins , pp. 267
    • Li, H.1
  • 3
    • 0017800253 scopus 로고    scopus 로고
    • Groves, J. T.; McGlusky, G. A.; White, R. E.; Coon, M. J. Biochem Biophys Res Commun 1978, 81, 154.
    • Groves, J. T.; McGlusky, G. A.; White, R. E.; Coon, M. J. Biochem Biophys Res Commun 1978, 81, 154.
  • 8
    • 0001785750 scopus 로고
    • Smith, V. H, Jr, Scheafer, H. F, III, Morokuma, K, Eds, D. Reidel: Boston
    • Yamaguchi, K.; Takahara, Y.; Fueno, T. In Applied Quantum Chemistry; Smith, V. H., Jr., Scheafer, H. F., III, Morokuma, K., Eds.; D. Reidel: Boston, 1986; p 155.
    • (1986) Applied Quantum Chemistry , pp. 155
    • Yamaguchi, K.1    Takahara, Y.2    Fueno, T.3
  • 9
    • 38449123634 scopus 로고
    • Frimer, A. A, Ed, CRC Press: Boca Raton, FL
    • Yamaguchi, K. In Singlet Oxygen; Frimer, A. A., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. III, p 237.
    • (1985) Singlet Oxygen , vol.3 , pp. 237
    • Yamaguchi, K.1
  • 24
    • 0002032298 scopus 로고    scopus 로고
    • Yoshizawa, K. J. Organomet Chem 2001, 635, 100.
    • Yoshizawa, K. J. Organomet Chem 2001, 635, 100.
  • 42
    • 0037421875 scopus 로고    scopus 로고
    • Isobe, H.; Takano, Y.; Kitagawa, Y.; Kawakami, T.; Yamanaka, S.; Yamaguchi, K.; Houk, K. N. J Phys Chem A 2003, 107, 682.
    • Isobe, H.; Takano, Y.; Kitagawa, Y.; Kawakami, T.; Yamanaka, S.; Yamaguchi, K.; Houk, K. N. J Phys Chem A 2003, 107, 682.
  • 43
    • 38449091316 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Zakrzewski, V. G, Montgomery, J. A, Stratmann, R. E, Jr, Burant, J. C, Dapprich, S, Millam, J. M, Daniels, A. D, Kudin, K. N, Strain, M. C, Farkas, O, Tomasl, J, Barone, V, Cossi, M, Cammi, R, Mennucci, B, Pomelli, C, Adamo, C, Clifford, S, Ochterski, J, Petersson, G. A, Ayala, P. Y, Cui, Q, Morokuma, K, Rega, N, Salvador, P, Dannenberg, J. J, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Cioslowski, J, Ortiz, J. V, Baboul, A. G, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Gomperts, R, 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, Andres, J. L, Gonzalez, C, Head-Gordon, M, Replogle, E. S, Pople, J. A. Gaussian 98, Revision A. 11.3, Gaussian, Inc, Pittsburgh PA, 2002
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E., Jr.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasl, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; 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.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A. 11.3, Gaussian, Inc., Pittsburgh PA, 2002.
  • 46
    • 34548254354 scopus 로고    scopus 로고
    • Cundari, T. R.; Stevens, W. J. J Chem Phys 1995, 98, 5555.
    • Cundari, T. R.; Stevens, W. J. J Chem Phys 1995, 98, 5555.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.