Welcome Who we are Research News & Media Programs & Resources


Promoting

Science and Technology


Publications

CleveTheoComp LLC. recent publications

Recent Publications

  1. “ Tricyclic Polyazine N-Oxides as Proposed Energetic Compounds ”
    P. Politzer, P. Lane and J. S. Murray, Central Europ. J. Energet. Mater., 10(3), 305-323 (2013).

  2. “ Some Interesting Aspects of N-Oxides ”
    P. Politzer, P. Lane and J. S. Murray, Mol. Phys., 112, 719-725 (2014).

  3. “ The Role of Polarization in a Halogen Bond ”
    T. Clark, J. S. Murray and P. Politzer, Aust. J. Chem., 67, 451-456 (2014).

  4. “ The Local Ionization Energy as a Guide to Site Reactivities on Graphenes ”
    J. S. Murray, Z. P.-I. Shields and P. Politzer, in Design and Applications of Nanomaterials for Devices and Sensors, J. M. Seminario, ed., Springer, Amsterdam, ch. 9, pp. 249-269 (2014).

  5. “ Detonation Performance and Sensitivity: A Quest for Balance ”
    P. Politzer and J. S. Murray, Adv. Quant. Chem., 69, 1-30 (2014).

  6. “ Factors Affecting the Strengths of σ-Hole Electrostatic Potentials ”
    J. S. Murray, L. Macaveiu and P. Politzer, J. Comput. Sci., 5(4), 590-596 (2014).

  7. “ Impact Sensitivity and Crystal Lattice Compressibility/Free Space ”
    P. Politzer and J. S. Murray, J. Mol. Model., 20, 2223(1-8) (2014).

  8. “ σ-Hole Interactions of Covalently-Bonded Nitrogen, Phosphorus and Arsenic: A Survey of Crystal Structures ”
    P. Politzer, J. S. Murray, G. V. Janjic and S. D. Zaric, Crystals, 4, 12-31 (2014).

  9. “ Complementarity of Reaction Force and Electron Localization Function Analyses of Asynchronicity in Bond Formation in Diels-Alder Reactions ”
    D. Yepes, J. S. Murray, P. Pérez, L. R. Domingo, P. Politzer and P. Jaque, Phys. Chem. Chem. Phys., 16, 6726-6732 (2014).

  10. “ Driving and Retarding Forces in a Chemical Reaction ”
    P. Politzer, J. S. Murray, D. Yepes and P. Jaque, J. Mol. Model., 20, 2351(1-6) (2014).