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Additional resources for Advances in Chemical Physics, Volume 7: Structure and Properties of Biomolecules (v. 7)
Electronic Structures of Biomolecules Before discussing the molecular diagrams of the more important groups of biomolecules, we point out that (unless indicated to the contrary) they have been calculated by the method of Pauling and Wheland (Section 11-1 (3) ), neglecting overlap between neighboring atoms. The parameters used by Fernhndez-Alonso are indicated in Table I. TABLE I. 7 2 C-H F'yrimidinic nitrogen. Glyoxalic nitrogen. (1) Purines The group of fundamental purine bases is made up of two aminopurines, guanine and adenine, and two oxypurines, hypoxanthine and xanthine.
The integrals (pplqq) are calculated from (pplpp) and values obtained by the uniformly charged sphere model for large values of PT. 10g The Pariser and Parr approximation can be applied t o SCF theory. /, which determine the coefficients cjpare given by the expressions (with change of notation) :I8 a? k(rrl K k ) where the q represent the electronic charges of the corresponding atoms, to be defined below. Now we are prepared to justify the statement that the Pariser and Parr approximation can be considered as a generalized HMO.
Localized and Delocalized Bonds When molecules react, the bonds are formed and are broken independently of each other. Because of this, the chemical bond is a “reality” to the classical chemist, with its experimental expression in the constancy of a series of properties, the most important of which are bond length, bond energy, characteristic infrared frequency, dipole moment, quadrupole coupling constant, and chemical “reactivity”. According to this view, the electrons forming a bond are supposed to be localized between the atoms they unite, forming localized bonds.