Lias, S. G.; Bartmess, J. E., http://webbook.nist.gov/chemistry/ion (retrieved Oct. 19, 2011)
Parr, R. G.; Yang, W., Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989
Chemical Reactivity Theory, A Density Functional View, Ed. Chattaraj, P. K., CRC Press, Taylor & Francis Group, New York, 2009
Pearson, R. G., Chemical Hardness. Wiley-VCH, Weinheim, Germany, 1997
Geerlings, P.; De Proft, F.; Langenaeker, W., Chem. Rev. 2003, 103, 1793–1873
Mulliken, R. S., J. Chem. Phys. 1934, 2, 782–793
Ayers, P. W., J. Math. Chem. 2008, 43, 285–303
Parr, R. G.; Pearson, R. G., J. Am. Chem. Soc. 1983, 105, 7512–7516
Parr, R. G.; Szentpaly, L. V.; Liu, S., J. Am. Chem. Soc. 1999, 121, 1922–1924
Yokojima, S.; Yoshiki, N.; Yanoi, W.; Okada, A., J. Phys. Chem. B 2009, 113, 16384–16392
Smalo, H. S.; Astrand, P. O.; Ingebrigtsen, S., IEEE Trans. Dielectr. Electr. Insul. 2010, 17, 733–741
Steenken, S.; Telo, J. P.; Novais, H. M.; Candeias, L. P., J. Am. Chem. Soc. 1992, 114, 4701–4709
Khistyaev, K.; Bravaya, K. B.; Kamarchik, E.; Kostko, O.; Ahmed, M.; Krylov, A. I., Faraday Discuss. 2011, 150, 313–330
Vijayaraj, R.; Subramanian, V.; Chattaraj, P. K., J. Chem. Theory Comput. 2009, 5, 2744–2753
Fayet, G.; Joubert, L.; Rotureau, P.; Adamo, C., Chem. Phys. Lett. 2009, 467, 407–411
Pandey, P. P.; Gupta, A. K.; Singh, P. P., Asian J. Chem. 2008, 20, 6417–6434
Thanikaivelan, P.; Subramanian, V.; Rao, J. R.; Nair, B. U., Chem. Phys. Lett. 2000, 323, 59–70
Stanton, J. F.; Gauss, J., J. Chem. Phys. 1999, 111, 8785–8788
Kemeny, A. E.; Francisco, J. S.; Dixon, D. A.; Feller, D., J. Chem. Phys. 2003, 118, 8290–8295
Parthiban, S.; Martin, J. M. L., J. Chem. Phys. 2001, 114, 6014–6029
Pople, J. A.; Head-Gordon, M.; Fox, D. J.; Raghavachari, K.; Curtiss, L. A., J. Chem. Phys. 1989, 90, 5622–5629
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A., J. Chem. Phys. 1991, 94, 7221–7230
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A., J. Chem. Phys. 1998, 109, 7764–7776
Curtiss, L. A.; Redfern, P. C.; Raghavachari, K., J. Chem. Phys. 2007, 126, 84108–84112
Montgomery, J. A. Jr; Frisch, M. J.; Ochterski, J. W.; Petersson, G. A., J. Chem. Phys. 1999, 110, 2822–2827
Wood, G. P. F.; Radom, L.; Petersson, G. A.; Barnes, E. C.; Frisch, M. J.; and Montgomery, Jr. J. A., J. Chem. Phys. 2006, 125, 094106/1–16
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A., J. Chem. Phys. 1998, 109, 42–55
Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F.; Nandi, S.; Ellison, G. B., Chem. Rev. 2002, 102, 231–282
Zhang, H. Y.; Sung, Y. M.; Wang, X. L., Chem. Euro. J. 2003, 9, 502–508
Joanteguy, S.; Pfister-Guillouzo, G.; Chermette, H., J. Phys. Chem. A 1999, 103, 3505–3511
Becke, A. D., Phys. Rev. A 1988, 38, 3098–3100
Lee, C. T.; Yang, W. T.; Parr, R. G., Phys. Rev. B 1988, 37, 785–789
Perdew, J. P., Phys. Rev. B 1986, 33, 8822–8824
Perdew, J. P.; Wang, Y., Phys. Rev. B 1992, 45, 13244–13249
Slater, J. C., Quamtum Theory of Molecules and Solids, v.4, McGraw-Hill, New York, 1974
Vosko, S. H.; Wilk, L.; Nusair, M., Can. J. Phys. 1980, 58, 1200–1211
Becke, A. D., J. Chem. Phys. 1993, 98, 5648–5652
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J., J. Phys. Chem. 1994, 98, 11623–11627
Van Voorhis, T.; Scuseria, G. E., J. Chem. Phys. 1998, 109, 400–410
Tao, J.; Perdew, J.; Staroverov, V.; and Scuseria, G., Phys. Rev. Lett. 2003, 91, 146401/1–4
Zhao, Y.; and Truhlar, D. G., J. Chem. Phys. 2006, 125, 194101/1–18
Boese, A. D.; Handy, N. C., J. Chem. Phys. 2002, 116, 9559–9569
Schmider, H. L.; Becke, A. D., J. Chem. Phys. 1998, 108, 9624–9631
Iikura, H.; Tsuneda, T.; Yanai, T.; Hirao, K., J. Chem. Phys. 2001, 115, 3540–3544
Vydrov, O. A.; Heyd, J.; Krukau, A.; and Scuseria, G. E., J. Chem. Phys. 2006, 125, 074106/1–9
Yanai, T.; Tew, D.; Handy, N. C., Chem. Phys. Lett. 2004, 393, 51–57
Chai, J. D.; and Head-Gordon, M., J. Chem. Phys. 2009, 131, 174105/1–13
Chai, J. D.; and Head-Gordon, M., J. Chem. Phys. 2008, 128, 084106/1–15
Chai, J. D.; Head-Gordon, M., Phys. Chem. Chem. Phys. 2008, 10, 6615–6620
Grimme, S., J. Comput. Chem. 2006, 27, 1787–1799
Schwabe, T.; Grimme, S., Phys. Chem. Chem. Phys. 2007, 9, 3397–3406
Zhang, Y.; Xu, X.; Goddard, W. A. III, Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 4963–4968
Zhao, Y.; Lynch, B. J.; Truhlar, D. G., J. Phys. Chem. A 2004, 108, 4786–4791
Grimme, S., J. Chem. Phys. 2006, 124, 034108/1–16
Karton, A.; Tarnopolsky, A.; Lamère, J. F.; Schatz, G. C.; Martin, J. M. L., J. Phys. Chem. A 2008, 112, 12868–12886
Zhang, I. Y.; Luo, Y.; and Xu, X., J. Chem. Phys. 2010, 132, 194105/1–11
Zhang, I. Y.; Luo, Y.; and Xu, X., J. Chem. Phys. 2010, 133, 104105/1–12
Zhang, I. Y.; Wu, J. M.; Xu, X., Chem. Commun. 2010, 46, 3057–3070
Furche, F.; and Perdew, J. P., J. Chem. Phys. 2006, 124, 044103/ 1–27
Perdew, J.; Burke, K.; Ernzerhof, M., Phys. Rev. Lett. 1996, 77, 3865–3868
Boese, A. D.; Handy, N. C., J. Chem. Phys. 2001, 114, 5497–5503
Becke, A. D., J. Chem. Phys. 1993, 98, 1372–1377
Xu, X.; Goddard, W. A. III, Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 2673–2677
Xu, X.; Zhang, Q. S.; Muller, R. P.; and Goddard III, W. A., J. Chem. Phys. 2005, 122, 014105/1–14
Adamo, C.; Barone, V., J. Chem. Phys. 1999, 110, 6158–6169
Ernzerhof, M.; Scuseria, G. E., J. Chem. Phys. 1999, 110, 5029–5036
Cohen, A. J.; Handy, N. C., Mol. Phys. 2001, 99, 607–615
Xu, X.; Goddard, W. A. III, J. Phys. Chem. 2004, 108, 8495–8504
Hamprecht, F. A.; Cohen, A.; Tozer, D. J.; Handy, N. C., J. Chem. Phys. 1998, 109, 6264–6271
Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P., J. Chem. Phys. 2003, 119, 12129–12137
Krukau, A. V.; Vydrov, O. A.; Izmaylov, A. F.; and Scuseria, G. E., J. Chem. Phys. 2006, 125, 224106/1–5
Zhao, Y.; Truhlar, D. G., Theor. Chem. Acc. 2008, 120, 215–241
Zhang, I. Y.; Xu, X., Int. Rev. Phys. Chem. 2011, 30, 115–160
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A. Jr; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J., Gaussian 09, Revision B.01; Gaussian, Inc.: Wallingford, CT, 2009.
Knoll, E. H.; Friesner, R. A., J. Phys. Chem. B 2006, 110, 18787–18802
Huber, K. P.; Herzberg, G. H., Molecular Spectra and Molecular Structure, IV. Constants of Diatomic Molecules, van Nostrand-Reinhold, New York, 1979
Ding, X. L.; Wu, J. M.; Xu, X., Chem. J. Chin. Univ. 2008, 29, 396–398
Rösch, N.; Trickey, S. B., J. Chem. Phys. 1997, 106, 8940–8941
Galbraith, J. M.; Schaefer, H. F. III, J. Chem. Phys. 1996, 105, 862–864
Jensen, F., J. Chem. Theory Comput. 2010, 6, 2726–2735
Zhang, I. Y.; Wu, J. M.; Luo, Y.; Xu, X., J. Comput. Chem. 2011, 32, 1824–1838
Zhang, I. Y.; Wu, J. M.; Luo, Y.; Xu, X., J. Chem. Theory Comput. 2010, 6, 1462–1469
