DFT studies and vibrational spectra of isoquinoline and 8-hydroxyquinoline
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Krishnakumar, 2002, Indian J. Pure Appl. Phys., 40, 252
Krishnakumar, 2001, Indian J. Pure Appl. Phys., 39, 829
Ghuge, 1978, J. Indian Chem. Soc., 55, 864
Ghuge, 1980, J. Indian Chem. Soc., 57, 967
Kostimura, 1954, Annu. Rep. Res. Inst. Tuberc. Kanazawa, Univ., 12, 9
Saki, 1955, Gann, 46, 605
Jagow, 1922, 177
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, A.J. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. AI-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.11.4, Gaussian, Inc., Pittsburgh, PA, 2002.
MOLVIB: A program for Harmonic Force Field Calculations, QCPE Program No. 604, 1991.
Socrates, 2001