1. (a) Stryer, L. Biochemistry; Freeman: New York, 1988. (b) Jeffrey, G. A.; Saenger, W. Hydrogen Bonding in Biological Structures; Springer-Verlag: Berlin, 1991. (c) Jeffrey, G. A. An Introduction to Hydrogen Bonding; Oxford University Press: New York, 1997.
2. (a) Fonseca Guerra, C.; Bickelhaupt, F. M. Angew. Chem. 1999, 111, 3120; Angew. Chem. Int. Ed. 1999, 38, 2942. (b) Fonseca Guerra, C.; Bickelhaupt, F. M.; Snijders, J. G.; Baerends, E. J. J. Am. Chem. Soc. 2000, 122, 4117. (c) Fonseca Guerra, C.; Bickelhaupt, F. M.; Snijders, J. G.; Baerends, E. J. Chem. Eur. J. 1999, 5, 3581. (d) Fonseca Guerra, C.; Baerends, E. J.; Bickelhaupt, F. M. Crystal Growth Design 2002, 2, 239. (e) Fonseca Guerra, C.; Bickelhaupt, F. M. Angew. Chem. 2002, 114, 2194; Angew. Chem. Int. Ed. 2002, 41, 2092. (f) Fonseca Guerra, C.; Bickelhaupt, F. M. J. Chem. Phys. 2003, 119, 4262. (g) Fonseca Guerra, C.; Bickelhaupt, F. M.; Baerends, E. J. Chem. Phys. Chem. 2004, 5, 481.
3. (a) Hobza, P.; Sponer, J. Chem. Rev. 1999, 99, 3247. (b) Bertran, J.; Oliva, A.; Rodríguez-Santiago, L.; Sodupe, M. J. Am. Chem. Soc. 1998, 120, 8159. (c) Brameld, K.; Dasgupta, S.; Goddard, W. A. III. J. Phys. Chem. B 1997, 101, 4851. (d) Sponer, J.; Leszczynski, J.; Hobza, P. J. Phys. Chem. 1996, 100, 1965. (e) Gould, I. R.; Kollman, P. A. J. Am. Chem. Soc. 1994, 116, 2493. (f) Santamaria, R.; Vázquez, A. J. Comp. Chem. 1994, 15, 981. (g) Sponer, J.; Hobza, P. J. Phys. Chem. A 2000, 104, 4592. (h) Hobza, P.; Sponer, J.; Cubero, E.; Orozco, M.; Luque, F. J. J. Phys. Chem. B, 2000, 104, 6286. (i) Poater, J.; Fradera, X.; Solà, M.; Duran, M.; Simon, S. Chem. Phys. Lett. 2003, 369, 248.
4. Bickelhaupt, F. M.; Baerends, E. J. In Rev. Comput. Chem.; Lipkowitz, K. B.; Boyd, D. B., Eds.; Wiley-VCH: New York, 2000; Vol. 15, pp. 1–86.
5. (a) te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931. (b) Fonseca Guerra, C.; Visser, O.; Snijders, J. G.; te Velde, G.; Baerends, E. J. In Methods and Techniques for Computational Chemistry; Clementi, E.; Corongiu, G.; Eds.; STEF: Cagliari, 1995, pp. 305–395. (c) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41. (d) Baerends, E. J.; Ros, P. Chem. Phys. 1975, 8, 412. (e) Baerends, E. J.; Ros, P. Int. J. Quantum Chem. Symp. 1978, 12, 169. (f) Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391. (g) Boerrigter, P. M.; te Velde, G.; Baerends, E. J. Int. J. Quantum Chem. 1988, 33, 87. (h) te Velde, G.; Baerends, E. J. J. Comp. Phys. 1992, 99, 84. (i) Snijders, J. G.; Baerends, E. J.; Vernooijs, P. At. Nucl. Data Tables 1982, 26, 483. (j) Krijn, J.; Baerends, E. J. Fit-Functions in the HFS-Method (internal report in Dutch); Vrije Universiteit: Amsterdam, 1984. (k) Versluis, L.; Ziegler, T. J. Chem. Phys. 1988, 88, 322. (l) Slater, J. C. Quantum Theory of Molecules and Solids; McGraw-Hill: New York, 1974; Vol. 4. (m) Becke, A. D. J. Chem. Phys. 1986, 84, 4524. (n) Becke, A. Phys. Rev. A 1988, 38, 3098. (o) Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200. (p) Perdew, J. P. Phys. Rev. B 1986, 33, 8822; Erratum: Phys. Rev. B 1986, 34, 7406. (q) Fan, L.; Ziegler, T. J. Chem. Phys. 1991, 94, 6057.