Intermolecular reactivity through the generalized philicity concept
Tài liệu tham khảo
Parr, 1989
Pearson, 1997
Chermette, 1999, J. Comp. Chem., 20, 129, 10.1002/(SICI)1096-987X(19990115)20:1<129::AID-JCC13>3.0.CO;2-A
Geerlings, 2003, Chem. Rev., 103, 1793, 10.1021/cr990029p
Parr, 1999, J. Am. Chem. Soc., 121, 1922, 10.1021/ja983494x
Yang, 1985, Proc. Natl. Acad. Sci. USA, 82, 6723, 10.1073/pnas.82.20.6723
Yang, 1986, J. Am. Chem. Soc., 108, 5708, 10.1021/ja00279a008
Lee, 1988, J. Mol. Struct. (Theochem), 163, 305, 10.1016/0166-1280(88)80397-X
Korchowiec, 1992, Int. J. Quantum Chem., 44, 1027, 10.1002/qua.560440607
De Proft, 1993, J. Phys. Chem., 97, 1826, 10.1021/j100111a018
De Proft, 1994, J. Phys. Chem., 98, 5227, 10.1021/j100071a010
Langenaeker, 1996, J. Mol. Struct. (Theochem), 362, 175, 10.1016/0166-1280(95)04399-3
De Proft, 1996, Chem. Phys. Lett., 256, 400, 10.1016/0009-2614(96)00469-1
Roy, 1998, J. Phys. Chem. A, 102, 3746, 10.1021/jp973450v
Contreras, 1999, Chem. Phys. Lett., 304, 405, 10.1016/S0009-2614(99)00325-5
Roy, 1999, J. Chem. Phys., 110, 8236, 10.1063/1.478792
Roy, 2000, J. Chem. Phys., 117, 1372
Krishnamurti, 2000, J. Phys. Chem. A, 104, 7639, 10.1021/jp0010280
Thanikaivelan, 2002, Theor. Chem. Acc., 107, 326, 10.1007/s00214-002-0352-z
Chattaraj, 2003, J. Phys. Chem. A, 107, 4973, 10.1021/jp034707u
Parthasarathi, 2003, Internet Electron. J. Mol. Des., 2, 798
Parthasarathi, 2003, J. Phys. Chem. A, 107, 10346, 10.1021/jp035620b
Meneses, 2004, Chem. Phys. Lett., 383, 181, 10.1016/j.cplett.2003.11.019
Parthasarathi, 2004, Curr. Sci., 86, 535
Roy, 2004, J. Phys. Chem. A, 108, 4934, 10.1021/jp038025i
P.K. Chattaraj, U. Sarkar, Internet Electron. J. Mol. Des., Proceedings of the IECMD (in press)
P.K. Chattaraj, U. Sarkar, R. Parthasarathi, V. Subramanian, Int. J. Quant. Chem., Proceedings of the DFT conference held at Brussels, Belgium (in press)
Frisch, 1998
Hirshfeld, 1977, Theor. Chim. Acta, 44, 129, 10.1007/BF00549096
DMOL3, Accelrys, Inc. San Diego, CA
March, 1998
Carey, 2000