Comparative QSAR study of phenol derivatives with the help of density functional theory
Tài liệu tham khảo
Singh, 2004, Bioorg. Med. Chem., 12, 171, 10.1016/j.bmc.2003.11.002
Singh, 2003, QSAR & Comb. Sci., 22, 843, 10.1002/qsar.200330828
Srivastava, 2005, Int. J. Quantum Chem., 103, 237, 10.1002/qua.20506
Pasha, 2005, Mol. Div., 9, 215, 10.1007/s11030-005-2711-x
Parr, 1989
Kohn, 1996, J. Phys. Chem., 100, 12974, 10.1021/jp960669l
Hohenberg, 1964, Phys. Rev. B, 136, 864, 10.1103/PhysRev.136.B864
Chattaraj, 1991, J. Phys. Chem., 103, 7645, 10.1063/1.470284
Ayers, 2000, J. Am. Chem. Soc., 122, 2010, 10.1021/ja9924039
De Proft, 1996, Chem. Phys. Lett., 250, 393, 10.1016/0009-2614(96)00057-7
Geerlings, 1996, Vol. 4, 773, 10.1016/S1380-7323(96)80103-8
De Proft, 1996, Chem. Phys. Lett., 256, 400, 10.1016/0009-2614(96)00469-1
De Proft, 1997, J. Chem. Phys., 106, 3270, 10.1063/1.473796
Geerlings, 1999, Adv. Quantum Chem., 33, 303, 10.1016/S0065-3276(08)60442-6
Parr, 1978, J. Chem. Phys., 68, 3801, 10.1063/1.436185
Iczkowski, 1961, J. Am. Chem. Soc., 83, 3547, 10.1021/ja01478a001
Mulliken, 1934, J. Chem. Phys., 2, 782, 10.1063/1.1749394
Sanderson, 1955, Science, 121, 207, 10.1126/science.121.3137.207
Sanderson, 1976
Sanderson, 1983
Parr, 1983, J. Am. Chem. Soc., 105, 7512, 10.1021/ja00364a005
Clare, 1995, Aust. J. Chem., 48, 1385, 10.1071/CH9951385
Parr, 1999, J. Am. Chem. Soc., 121, 1922, 10.1021/ja983494x
Parthasarathi, 2004, Bioorg. Med. Chem., 12, 5533, 10.1016/j.bmc.2004.08.013
Hall, 1997, Med. Chem. Res., 7, 407
Dewar, 1985, J. Am. Chem. Soc., 107, 3902, 10.1021/ja00299a024
Stewart, 1989, J. Comp. Chem., 10, 209, 10.1002/jcc.540100208
Stewart J. J. P. MOPAC2002, Fujitsu Limited, Tokyo, Japan, 2002.
Pasha, 2005, Int. J. Quantum Chem., 104, 87, 10.1002/qua.20569
