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Volumn 112, Issue 4, 2008, Pages 686-692

Understanding the planar tetracoordinate carbon atom: Spiropentadiene dication

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; CARBON; CHEMICAL BONDS; POTENTIAL ENERGY;

EID: 39149134569     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074895e     Document Type: Article
Times cited : (14)

References (43)
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    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, 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.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; 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.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
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    • For example, in the hydrogen molecule, 1.0 electron is shared between each hydrogen atom (DI), and 0.5 electron is localized in each hydrogen atom (LI). However, the electronic population, N(Ω), in each hydrogen atom is 1.0 (LI + 1/2DI).
    • For example, in the hydrogen molecule, 1.0 electron is shared between each hydrogen atom (DI), and 0.5 electron is localized in each hydrogen atom (LI). However, the electronic population, N(Ω), in each hydrogen atom is 1.0 (LI + 1/2DI).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.