Crossref journal-article
American Chemical Society (ACS)
Organometallics (316)
Bibliography

Khoroshun, D. V., Musaev, D. G., Vreven, T., & Morokuma, K. (2001). Theoretical Study on Bis(imino)pyridyl−Fe(II) Olefin Poly- and Oligomerization Catalysts. Dominance of Different Spin States in Propagation and β-Hydride Transfer Pathways. Organometallics, 20(10), 2007–2026.

Authors 4
  1. Dmitry V. Khoroshun (first)
  2. Djamaladdin G. Musaev (additional)
  3. Thom Vreven (additional)
  4. Keiji Morokuma (additional)
References 93 Referenced 99
  1. {'key': 'om010126kb00001/om010126kb00001_1', 'volume-title': 'New catalysts to polymerize olefins. Chem. Eng. News', 'author': 'Freemantle M.', 'year': '1998'} / New catalysts to polymerize olefins. Chem. Eng. News by Freemantle M. (1998)
  2. 10.1039/a801933i / J. Chem. Commun. by Britovsek G. J. P. (1998)
  3. 10.1021/ja9802100 / J. Am. Chem. Soc. by Small B. L. (1998)
  4. 10.1021/ja981317q / J. Am. Chem. Soc. by Small B. L. (1998)
  5. 10.1021/ja990449w / J. Am. Chem. Soc. by Britovsek G. J. P. (1999)
  6. 10.1021/ja00128a054 / J. Am. Chem. Soc. by Johnson L. K. (1995)
  7. 10.1021/ja962516h / J. Am. Chem. Soc. by Killian C. M. (1996)
  8. 10.1021/ja970226a / J. Am. Chem. Soc. by Deng L. (1997)
  9. 10.1021/ja9728334 / J. Am. Chem. Soc. by Froese R. D. J. (1998)
  10. 10.1021/om9711032 / Organometallics by Musaev D. G. (1998)
  11. 10.1021/om9504009 / Organometallics by For (1996)
  12. 10.1021/ja984385l / J. Am. Chem. Soc. by Deng L. (1999)
  13. 10.1039/a902276g / Chem. Commun. by Griffiths E. A. H. (1999)
  14. {'key': 'om010126kb00006/om010126kb00006_1', 'first-page': '1313', 'volume': '1988', 'author': 'Nartin L. M.', 'year': '1988', 'journal-title': 'J. Chem. Soc., Chem. Commun.'} / J. Chem. Soc., Chem. Commun. by Nartin L. M. (1988)
  15. 10.1021/ic971105e / Inorg. Chem. by Diebold A. (1998)
  16. 10.1016/0010-8545(90)80076-6 / Coord. Chem. Rev. by Guetlich P. (1990)
  17. 10.1016/0022-2860(95)08534-3 / J. Mol. Struct. by Guetlich P. (1995)
  18. 10.1016/S0010-8545(99)00111-3 / Coord. Chem. Rev. by Hauser A. (1999)
  19. 10.1021/ic50208a062 / Inorg. Chem. by Hawkins T. W. (1980)
  20. 10.1002/qua.560200408 / Int. J. Quantum Chem. by Kashiwagi H. (1981)
  21. 10.1063/1.444239 / J. Chem. Phys. by Obara S. (1982)
  22. 10.1016/0301-0104(83)85099-X / Chem. Phys. by Rohmer M.-M. (1983)
  23. 10.1063/1.446110 / J. Chem. Phys. by Sontum S. F. (1983)
  24. {'key': 'om010126kb00007/om010126kb00007_6', 'first-page': '347', 'volume': '7', 'author': 'Strich A.', 'year': '1983', 'journal-title': 'Nouv. J. Chem.'} / Nouv. J. Chem. by Strich A. (1983)
  25. 10.1021/ic00194a043 / Inorg. Chem. by Newton J. E. (1984)
  26. 10.1007/BF00551335 / Theor. Chim. Acta by Rohmer M.-M. (1984)
  27. 10.1002/qua.560280611 / Int. J. Quantum Chem. by Rawling D. C. (1985)
  28. 10.1002/qua.560280612 / Int. J. Quantum Chem. by Rawling D. C. (1985)
  29. 10.1016/0009-2614(85)80122-6 / Chem. Phys. Lett. by Rohmer M.-M. (1985)
  30. 10.1063/1.448511 / J. Chem. Phys. by Saito M. (1985)
  31. 10.1021/ja00299a042 / J. Am. Chem. Soc. by Sontum S. F. (1985)
  32. 10.1021/ja00269a012 / J. Am. Chem. Soc. by Edwards W. D. (1986)
  33. {'key': 'om010126kb00007/om010126kb00007_15', 'volume-title': 'Int. J. Quantum Chem. Quantum Chem. Symp.', 'author': 'Saito M.', 'year': '1987'} / Int. J. Quantum Chem. Quantum Chem. Symp. by Saito M. (1987)
  34. 10.1021/ic00325a008 / Inorg. Chem. by Rohmer M.-M. (1989)
  35. {'key': 'om010126kb00007/om010126kb00007_17', 'volume-title': 'Density Functional Methods in Chemistry', 'author': 'Delley', 'year': '1991'} / Density Functional Methods in Chemistry by Delley (1991)
  36. 10.1016/0921-4526(91)90430-M / Physica B by Delley B. (1991)
  37. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
  38. 10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
  39. {'key': 'om010126kb00008/om010126kb00008_3', 'volume-title': 'Gaussian 92/DFT', 'author': 'Frisch M. J.', 'year': '1993'} / Gaussian 92/DFT by Frisch M. J. (1993)
  40. 10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
  41. 10.1021/ja00523a008 / J. Am. Chem. Soc. by Binkley J. A. (1980)
  42. Dunning, T. H., Jr.; Hay, P. J. InModern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum:  New York, 1977; Vol. 3, pp 1−27.
  43. 10.1063/1.448975 / J. Chem. Phys. by Hay P. J. (1985)
  44. 10.1063/1.467142 / J. Chem. Phys. by Delley B. (1994)
  45. 10.1063/1.468265 / J. Chem. Phys. by Russo T. V. (1994)
  46. 10.1063/1.469202 / J. Chem. Phys. by Eriksson L. A. (1995)
  47. 10.1063/1.469541 / J. Chem. Phys. by Holthausen M. C. (1995)
  48. 10.1016/0009-2614(95)00535-C / Chem. Phys. Lett. by Holthausen M. C. (1995)
  49. {'key': 'om010126kb00013/om010126kb00013_6', 'first-page': '123', 'volume': '92', 'author': 'Ricca A.', 'year': '1995', 'journal-title': 'Theor. Chim. Acta'} / Theor. Chim. Acta by Ricca A. (1995)
  50. {'key': 'om010126kb00013/om010126kb00013_7', 'first-page': '32', 'volume-title': 'Transition State Modeling for Catalysis', 'author': 'Salahub D. R.', 'year': '1999'} / Transition State Modeling for Catalysis by Salahub D. R. (1999)
  51. 10.1021/cr980385s / Chem. Rev. by Davidson E. R. (2000)
  52. 10.1002/jcc.540160911 / J. Comput. Chem. by Maseras F. (1995)
  53. 10.1021/jp951762x / J. Phys. Chem. by Matsubara T. (1996)
  54. 10.1002/(SICI)1097-461X(1996)60:6<1101::AID-QUA1>3.0.CO;2-3 / Int. J. Quantum Chem. by Matsubara T. (1996)
  55. {'key': 'om010126kb00016/om010126kb00016_1', 'first-page': '189', 'volume': '9', 'author': 'Pettersson I.', 'year': '1996', 'journal-title': 'New York'} / New York by Pettersson I. (1996)
  56. 10.1021/ja00051a040 / J. Am. Chem. Soc. by Rappe A. K. (1992)
  57. 10.1021/ic960440k / Inorg. Chem. by Barea G. (1996)
  58. 10.1016/S0009-2614(96)01239-0 / Chem. Phys. Lett. by Froese R. D. J. (1996)
  59. 10.1021/jp962071j / J. Phys. Chem. by Svensson M. (1996)
  60. {'key': 'om010126kb00018/om010126kb00018_4', 'first-page': '67', 'volume': '94', 'author': 'Ujaque G.', 'year': '1996', 'journal-title': 'Theor. Chim. Acta'} / Theor. Chim. Acta by Ujaque G. (1996)
  61. 10.1007/s002140050216 / Theor. Chem. Acc. by Ujaque G. (1997)
  62. 10.1021/jo971345b / J. Org. Chem. by Ujaque G. (1997)
  63. 10.1021/ja962732q / J. Am. Chem. Soc. by Wakatsuki Y. (1997)
  64. 10.1021/ic971226e / Inorg. Chem. by Barea G. (1998)
  65. 10.1039/a805993d / Chem. Commun. by Jaffart J. (1998)
  66. 10.1039/a708752g / New J. Chem by Maseras F. (1998)
  67. 10.1039/a706748h / New J. Chem by Maseras F. (1998)
  68. 10.1021/ja9729894 / J. Am. Chem. Soc. by Ujaque G. (1998)
  69. 10.1039/a804840a / New J. Chem by Ujaque G. (1998)
  70. 10.1007/s002140050391 / Theor. Chem. Acc. by Woo T. K. (1998)
  71. 10.1002/(SICI)1097-461X(1999)71:5<403::AID-QUA2>3.0.CO;2-A / Int. J. Quantum Chem. by Aiga F. (1999)
  72. 10.1021/ja981727e / J. Am. Chem. Soc. by Cooper A. C. (1999)
  73. {'key': 'om010126kb00018/om010126kb00018_17', 'volume-title': 'THEOCHEM', 'author': 'Dapprich S.', 'year': '1999'} / THEOCHEM by Dapprich S. (1999)
  74. 10.1021/om990396r / Organometallics by Khoroshun D. V. (1999)
  75. 10.1063/1.452288 / J. Chem. Phys. by Dolg M. (1987)
  76. 10.1063/1.438955 / J. Chem. Phys. by Krishnan R. (1980)
  77. {'key': 'om010126kb00021/om010126kb00021_1', 'volume-title': 'Revision A.1', 'author': 'Frisch M. J.', 'year': '1995'} / Revision A.1 by Frisch M. J. (1995)
  78. {'key': 'om010126kb00022/om010126kb00022_1', 'volume-title': 'Quantum Chemistry Program Exchange', 'year': '1992'} / Quantum Chemistry Program Exchange (1992)
  79. 10.1021/ja00027a001 / J. Am. Chem. Soc. by Aped A. (1992)
  80. {'key': 'om010126kb00023/om010126kb00023_1', 'volume-title': 'Revision A.7', 'author': 'Frisch M. J.', 'year': '1998'} / Revision A.7 by Frisch M. J. (1998)
  81. 10.1023/A:1008193805436 / J. Comput.-Aided Mol. Des. by Schaftenaar G. (2000)
  82. 10.1016/0021-9517(64)90095-8 / J. Catal. by Cossee P. (1964)
  83. 10.1016/0021-9517(64)90096-X / J. Catal. by Arlman E. J. (1964)
  84. 10.1021/cr00005a010 / Chem. Rev. by Koga N. (1991)
  85. 10.1021/cr00054a001 / Chem. Rev. by Seeman J. I. (1983)
  86. {'key': 'om010126kb00029/om010126kb00029_1', 'volume-title': 'the bis(imino)pyridyl ligand is treated with the D95V basis set in the HSB system and with the 3-21G basis set in the HSB system', 'author': 'The'} / the bis(imino)pyridyl ligand is treated with the D95V basis set in the HSB system and with the 3-21G basis set in the HSB system by The
  87. (a) Koch, W.; Holthausen, M. C.A Chemist's Guide to Density FunctionalTheory; Wiley-VCH:  Weinheim, FRG, 2000; pp 251−259.
  88. 10.1021/jp952774l / J. Phys. Chem. by Holthausen M. C. (1996)
  89. 10.1021/ja954090x / J. Am. Chem. Soc. by Holthausen M. C. (1996)
  90. 10.1021/jp964090z / J. Phys. Chem. A by Wang W. (1997)
  91. 10.1021/jp980929u / J. Phys. Chem. A by Filatov M. (1998)
  92. 10.1021/ic990676z / Inorg. Chem. by Chen G. (2000)
  93. {'key': 'om010126kb00035/om010126kb00035_1', 'volume-title': 'THEOCHEM', 'author': 'Dapprich S.', 'year': '1999'} / THEOCHEM by Dapprich S. (1999)
Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 12:58 a.m.)
Deposited 3 years, 11 months ago (Sept. 20, 2021, 4:31 a.m.)
Indexed 1 month, 4 weeks ago (July 8, 2025, 7:44 a.m.)
Issued 24 years, 5 months ago (April 3, 2001)
Published 24 years, 5 months ago (April 3, 2001)
Published Online 24 years, 5 months ago (April 3, 2001)
Published Print 24 years, 4 months ago (May 1, 2001)
Funders 0

None

@article{Khoroshun_2001, title={Theoretical Study on Bis(imino)pyridyl−Fe(II) Olefin Poly- and Oligomerization Catalysts. Dominance of Different Spin States in Propagation and β-Hydride Transfer Pathways}, volume={20}, ISSN={1520-6041}, url={http://dx.doi.org/10.1021/om010126k}, DOI={10.1021/om010126k}, number={10}, journal={Organometallics}, publisher={American Chemical Society (ACS)}, author={Khoroshun, Dmitry V. and Musaev, Djamaladdin G. and Vreven, Thom and Morokuma, Keiji}, year={2001}, month=apr, pages={2007–2026} }