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Pure Appl. Chem., 1983, Vol. 55, No. 2, pp. 307-314

http://dx.doi.org/10.1351/pac198855020307

Variable hybridisation - a simple model of covalent bonding

Z. B. Maksic

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  • Vianello Robert, Maksić Zvonimir B.: Aromaticity of Rees-type hydrocarbons—a DFT computational study. Struct Chem 2007, 18, 821. <http://dx.doi.org/10.1007/s11224-007-9233-3>
  • Walrond Lisa D., Mayer Paul M., Despotovi�� Ines, Maksi�� Zvonimir B., Barone Vincenzo, Cimino Paola, Crescenzi Orlando, Pavone Michele: Can the CH2BH2 and CH3BH radicals, cations and anions be observed by experiment?. Journal of Molecular Structure: THEOCHEM 2007, 811, 303. <http://dx.doi.org/10.1016/j.theochem.2007.01.045>
  • Despotovi? Ines, Maksi? Zvonimir B., Vianello Robert: Computational design of Br?nsted neutral organic superbases?[3]iminoradialenes and quinonimines are important synthetic targets. New J Chem 2007, 31, 52. <http://dx.doi.org/10.1039/b611980h>
  • Ye Shi-Yong, Zhan Chang-Guo, Wan Jian, Zhang Chang-Jun: Ab initio calculation of natural hybrid orbitals. Journal of Molecular Structure: THEOCHEM 1994, 313, 231. <http://dx.doi.org/10.1016/0166-1280(94)85005-4>
  • Zhan Chang-Guo: Molecular maximum bond energy structures and maximum bond energy symmetry orbitals. Journal of Molecular Structure: THEOCHEM 1994, 310, 55. <http://dx.doi.org/10.1016/S0166-1280(09)80084-5>
  • Zhan Chang-Guo: Molecular maximum bond energy structures from maximum overlap symmetry hybrid orbid calculation. chem phys letts 1993, 209, 325. <http://dx.doi.org/10.1016/0009-2614(93)80025-K>
  • Zhan Chang-Guo, Zheng Fang, Frey Regina F., Cao Ming, Newton Susan Q., Sch��fer Lothar, Shukla M.K., Mishra P.C.: Band structure and density of states of NaxWO3. Journal of Molecular Structure: THEOCHEM 1993, 285, 89. <http://dx.doi.org/10.1016/0166-1280(93)87022-6>
  • Zhenga Fang, Zhan Chang-Guo, Li Xing-Tiao, Xu Guang-Xian, Zhan Chang-Guo, Bodor Nicholas, Huang Ming-Ju, Kaminski James J.: Band structures by the maximum overlap symmetry molecular orbital method. Journal of Molecular Structure: THEOCHEM 1993, 279, 47. <http://dx.doi.org/10.1016/0166-1280(93)90051-C>
  • Zhan Chang-Guo: Molecular equilibrium geometries and vibrational frequencies by maximum overlap symmetry molecular orbital method. Int J Quantum Chem 1992, 41, 773. <http://dx.doi.org/10.1002/qua.560410603>
  • Zhan Chang-Guo: Maximum overlap symmetry molecular orbital model. Int J Quantum Chem 1992, 44, 123. <http://dx.doi.org/10.1002/qua.560440205>
  • Zhan Chang-Guo, Zheng Fang: Maximum overlap symmetry orbitals. Int J Quantum Chem 1991, 39, 729. <http://dx.doi.org/10.1002/qua.560390509>
  • Zhan Chang-Guo: Pauling's criterion of bond strength and the relative bond lengths in molecule MLk. Int J Quantum Chem 1991, 40, 675. <http://dx.doi.org/10.1002/qua.560400509>
  • Zhan Chang-Guo: Calculation of molecular maximum bond energy structures. chem phys letts 1991, 179, 137. <http://dx.doi.org/10.1016/0009-2614(91)90304-R>
  • Johnston Randy F., Cooper John C., Marshall Paul, Zhan Chang-Guo: Substituent effects on the frontier molecular orbitais of aryl isonitriles. Journal of Molecular Structure: THEOCHEM 1991, 236, 297. <http://dx.doi.org/10.1016/0166-1280(91)80023-2>
  • Zhan Chang-Guo, Kvam Erik W.: Construction of orthogonalized maximum overlap symmetry orbitals. Journal of Molecular Structure: THEOCHEM 1991, 231, 33. <http://dx.doi.org/10.1016/0166-1280(91)85200-Q>
  • Zhan Chang-Guo, Zhan Chang-Guo, Yilmaz H., Erko�� S.: Maximum overlap population principle and direct calculation of bond order, valence and atomic charge. Journal of Molecular Structure: THEOCHEM 1991, 231, 47. <http://dx.doi.org/10.1016/0166-1280(91)85203-J>
  • Zhan Chang-Guo, Wang Qiong-Lin, Zheng Fang: Calculation of the maximum bond order. Theor Chim Acta 1990, 78, 129. <http://dx.doi.org/10.1007/BF01119192>
  • Eckert-Maksi�� M., Kova��ek D., Hodo����ek M., Miti�� D., Poljanec K., Maksi�� Z.B., Nizam M., Bouteiller Y., Gao Ying-Duo, Hosoya Haruo: Mills-nixon effect in benzocyclobutenes. Journal of Molecular Structure: THEOCHEM 1990, 206, 89. <http://dx.doi.org/10.1016/0166-1280(90)85009-C>
  • Zheng Fang, Zhan Chang-Guo: An improved iterative maximum overlap approximation method. Journal of Molecular Structure: THEOCHEM 1990, 205, 267. <http://dx.doi.org/10.1016/0166-1280(90)85126-8>
  • Eckert-Maksi�� M., Maksi�� Z.B., Skancke A., Skancke P.N., Koizumi Masahiko, Tachibana Akitomo, Yamabe Tokio, Magnasco Valerio, Figari Giuseppe, Costa Camilla: Structural variations in small ring hydrocarbons bridged by allenic double bonds. Journal of Molecular Structure: THEOCHEM 1988, 164, 25. <http://dx.doi.org/10.1016/0166-1280(88)80003-4>
  • Yang Cao: Review: The six decades of the hybrid concept. Journal of Molecular Structure: THEOCHEM 1988, 169, 1. <http://dx.doi.org/10.1016/0166-1280(88)80246-X>
  • Zuccarello Felice, Buemi Giuseppe, Del Re Giuseppe, Gopinathan M.S., Herndon William C.: Atomic orbitals in the ab initio analysis of imidazole H-bonding. Journal of Molecular Structure: THEOCHEM 1988, 169, 367. <http://dx.doi.org/10.1016/0166-1280(88)80270-7>
  • Del Re Giuseppe, Raeymaekers Paul, Figeys Hubert, Geerlings Paul, Cremer Dieter, Gauss J��rgen, Cremer Elfi: On the general theoretical foundations of methods for optimum hybrids. Journal of Molecular Structure: THEOCHEM 1988, 169, 487. <http://dx.doi.org/10.1016/0166-1280(88)80279-3>
  • Skancke Anne, Skancke Per N., Eckert-Maksi�� Mirjana, Maksi�� Zvonimir B., Gies M., Seel M., Lakik J.: Subject index. Journal of Molecular Structure: THEOCHEM 1987, 150, 396. <http://dx.doi.org/10.1016/0166-1280(87)85024-8>
  • Kova��evi�� K., Maksi�� Z.B., Vu��kovi�� D.L.J., Vujisi�� L.J.: Geometry of molecules. Journal of Molecular Structure: THEOCHEM 1987, 151, 233. <http://dx.doi.org/10.1016/0166-1280(87)85060-1>
  • Eckert-maksi�� M., Bischof P., Maksi�� Z.B.: Geometric and electronic structure of vitamin C radicals. A semiempirical study. Journal of Molecular Structure: THEOCHEM 1986, 139, 179. <http://dx.doi.org/10.1016/0166-1280(86)87035-X>
  • Eckert-Maksić Mirjana, Maksić Zvonimir B., Gleiter Rolf: A comparative study of bent-bond vs. Walsh model in strained systems. Bicyclo(1.1.0)butane. Theor Chim Acta 1984, 66, 193. <http://dx.doi.org/10.1007/BF00549669>
  • Vujisi�� Lj., Vu��kovi�� D.Lj., Maksi�� Z.B.: Charge density distribution in small strained rings. A local hybrid overlap study. Journal of Molecular Structure: THEOCHEM 1984, 106, 323. <http://dx.doi.org/10.1016/0166-1280(84)85037-X>