Ab initio calculations on the isomers of N-hydroxythiourea

Journal of Molecular Structure: THEOCHEM

Volumn 362, Issue 3, 1996, Pages 355-358

  La Manna, Gianfranco ^a  

^a UNIVERSITY OF PALERMO   (Italy)

Author keywords

Ab initio calculation; Hydroxythiourea; Isomer

Indexed keywords

EID: 0041539501     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(95)04364-0     Document Type: Article

References (4)

1. G. La Manna and G. Barone, Int. J. Quantum Chem., in press.
2. M.J. Frisch, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M.A. Robb, J.S. Binkley, C. Gonzalez, D.J. DeFrees, D.J. Fox, R.A. Whiteside, R. Seeger, C.F. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol and J.A. Pople, GAUSSIAN90, Revision J, Gaussian Inc., Pittsburgh, PA, 1990.
3. I. Alkorta, Theor. Chim. Acta, 89 (1994) 1.
4. G. La Manna, M. Cignitti and C. Notaro, J. Mol. Struct. (Theochem), 166 (1988) 439.