Ab initio MO study on N-Nitrosoazetidine-2-carboxylic acid

Bulletin of the Korean Chemical Society

Volumn 26, Issue 1, 2005, Pages 32-33

  Cho, Kwang Hwi ^a  

^a Soongsil University   (South Korea)

Author keywords

Ab initio MO study; N Nitrosoazetidine 2 carboxylic acid; SCRF calculation

Indexed keywords

N NITROSOAZETIDINE 2 CARBOXYLIC ACID; NITROSAMINE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL CARCINOGENESIS; CHEMICAL STRUCTURE; CHIRALITY; CHROMATOPHORE; CRYSTAL STRUCTURE; ENERGY; GEOMETRY; MOLECULAR ORBITAL; X RAY CRYSTALLOGRAPHY;

EID: 14544296121     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2005.26.1.032     Document Type: Article

References (7)

1. Leoppky, R. N.; Outram, J. R. In Nitroso Compounds: Occurrence and Biological Effects; Lyon: IARC Scientific Publishers: 1982.
2. Polanski, T.; Pham, M.; Gdaniec, M. J. Org. Chem. 1996, 61, 3766.
3. Gdaniec, M.; Milewska, M.; Polanski, T. Acta. Cryst. 2004, E60, 181.
4. Gaffield, W.; Lundin, R. E.; Keepfer, L. K. Tetrahedron 1981, 37, 1861.
5. Shustov, G. V.; Rauk, A. J. Am. Chem. Soc. 1995, 117, 928.
6. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; 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.; 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.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
7. Barone, V.; Cossi, M. J. Phys. Chem. 1998, 102, 1995.