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Pure Appl. Chem., 1999, Vol. 71, No. 2, pp. 289-294

http://dx.doi.org/10.1351/pac199971020289

Hybridization as a metric for the reaction coordinate of the chemical reaction. Concert in chemical reactions

R. C. Haddon and S.-Y. Chow

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  • Timashev S. F., Solov’eva A. B., Buslaeva E. Yu., Gubin S. P.: Concerted processes in supercritical fluids. Russ. J. Phys. Chem. 2013, 87, 153. <http://dx.doi.org/10.1134/S0036024413010305>
  • Doron Dvir, Kohen Amnon, Major Dan Thomas: Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase. J. Chem. Theory Comput. 2012, 8, 2484. <http://dx.doi.org/10.1021/ct300235k>
  • Ukpong Aniekan Magnus: Tight-binding molecular dynamics study of the hydrogen-induced structural modifications in tetrahedral amorphous carbon. Molec Phys 2010, 108, 1607. <http://dx.doi.org/10.1080/00268976.2010.485583>
  • Titantah J. T., Lamoen D.: Technique for the sp^{2}∕sp^{3} characterization of carbon materials: Ab initio calculation of near-edge structure in electron-energy-loss spectra. Phys Rev B 2004, 70, 075115. <http://dx.doi.org/10.1103/PhysRevB.70.075115>