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The current quantity involves 4 chapters. the 1st (by Ollis and Ramsden) classifies and discusses the chemistry of that attention-grabbing crew of compounds often called meso-ionic heterocycles and incorporates a worthy normal definition of the time period. the second one bankruptcy (Litvinov and Gol'dfarb) offers with structures with (or extra) thiophene (or selenophene) jewelry without delay fused jointly.
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Extra resources for Computational Medicinal Chemistry for Drug Discovery
Reviews in Computational Chemistry. , 1991:99. Thomas HD, Chen K, Allinger NL. Toward a better understanding of covalent bonds: the molecular mechanics calculation of C–H bond lengths and stretching frequencies. J Am Chem Soc 1994; 116:5887–5897. Sprague JT, Tai JC, Yuh Y, Allinger NL. The MMP2 calculational method. J Comput Chem 1987; 8:581–603. Tai JC, Allinger NL. Eﬀect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds. J Comput Chem 1998; 19:475–487. 26 Liljefors et al.
Charge equilibration for molecular dynamics simulations. J Phys Chem 1991; 95:3358–3363. Halgren TA, Dam W. Polarizable force ﬁelds. Curr Opinion Struct Biol 2001; 11:236– 242. Allinger NL, Kok RA, Imam MR. Hydrogen bonding in MM2. J Comput Chem 1988; 9:591–595. Weiner SJ, Kollman PA, Nguyen DT, Case DA. An all atom force ﬁeld for simulations of proteins and nucleic acids. J Comput Chem 1986; 7:230–252. Weiner SJ, Kollman PA, Case DA, Singh UC, Ghio C, Alagona G, Profeta S Jr, Weiner P. A new force ﬁeld for molecular mechanical simulation of nucleic acids and proteins.
J Chem Soc Perkins Trans II 1976; 895– 901. 47. Norrby P-O, Brandt P. Deriving force ﬁeld parameters for coordination complexes. Coord Chem Rev 2001; 212:79–109. Molecular Mechanics and Comparison of Force Fields 27 48a. Becke AD. Density-functional thermochemistry: III. The role of exact exchange. J Chem Phys 1993; 98:5648–5652. 48b. Lee C. Yang W. Parr RG. Development of the Colle–Salvetti correlation-energy formula into a functional of the electron-density. Phys. Rev. B 1988; 37:785–789. 49.