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Volumn 112, Issue 15, 2008, Pages 3414-3423

Evidence of an unexpectedly long C-C bond (>2.7 Å) in 1,3-metalladiyne complexes [Cp2MCCR]2 (M = Ti, Zr): QTAIM and ELF analyses

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS;

EID: 47049130881     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075370p     Document Type: Article
Times cited : (15)

References (58)
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    • 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.; Bakken, V.; 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 B.05; Gaussian, Inc.: Wallingford, CT, 2004.
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    • MORPHY98, a program written by P. L. A. Popelier with a contribution from R. G. A. Bone; UMIST, Manchester, U.K., 1998.
    • MORPHY98, a program written by P. L. A. Popelier with a contribution from R. G. A. Bone; UMIST, Manchester, U.K., 1998.
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    • Pepcke, E.; Lyons, J. SciAn 1.2; SCRI, Florida State University, Tallahassee, FL, 1996.
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  • 55
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    • 2′ bond distance similar to that of the most reactive structures (2.9 Å).
    • 2′ bond distance similar to that of the most reactive structures (2.9 Å).
  • 57
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    • This basin presents two different attractors, one above and other below the molecular plane. The value of the basin population displayed is the result of adding the corresponding charges for both attractors
    • This basin presents two different attractors, one above and other below the molecular plane. The value of the basin population displayed is the result of adding the corresponding charges for both attractors.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.