Maxim Fedorov

Professor

  1. Molecular sinkers: x-ray photoemission and atomistic simulations of benzoic acid and benzoate at the aqueous solution/vapor interface

    Ottosson, N., Romanova, A. O., Soderstrom, J., Bjorneholm, O., Ohrwall, G. & Fedorov, M. V. 1 Nov 2012 In : Journal of Physical Chemistry B. 116, 43, p. 13017-13023 7 p.

    Research output: Research - peer-reviewArticle

  2. First principles calculation of the intrinsic aqueous solubility of crystalline druglike molecules

    Palmer, D., McDonagh, J. L., Mitchell, J. B. O., van Mourik, T. & Fedorov, M. 11 Sep 2012 In : Journal of Chemical Theory and Computation . 8, 9, p. 3322–3337 16 p.

    Research output: Research - peer-reviewArticle

  3. Influence of the structure of carbon onions on their electrochemical performance in supercapacitor electrodes

    McDonough, J. K., Frolov, A. I., Presser, V., Niu, J., Miller, C. H., Ubieto, T., Fedorov, M. V. & Gogotsi, Y. Aug 2012 In : Carbon. 50, 9, p. 3298-3309 12 p.

    Research output: Research - peer-reviewArticle

  4. 3DRISM multigrid algorithm for fast solvation free energy calculations

    Sergiievskyi, V. P. & Fedorov, M. V. 12 Jun 2012 In : Journal of Chemical Theory and Computation . 8, 6, p. 2062-2070 9 p.

    Research output: Research - peer-reviewArticle

  5. In silico screening of bioactive molecules using molecular integral equation theory

    Palmer, D. S., Frolov, A. I., Ratkova, E. L. & Fedorov, M. V. 25 Mar 2012 In : Abstracts of papers - American Chemical Society. 243, 385-COMP

    Research output: Research - peer-reviewMeeting abstract

  6. Electrode screening by ionic liquids

    Lynden-Bell, R. M., Frolov, A. I. & Fedorov, M. V. 2012 In : Physical Chemistry Chemical Physics. 14, 8, p. 2693-2701 9 p.

    Research output: Research - peer-reviewArticle

  7. Molecular mechanisms of salt effects on carbon nanotube dispersions in an organic solvent (N-methyl-2-pyrrolidone)

    Frolov, A. I., Arif, R. N., Kolar, M., Romanova, A. O., Fedorov, M. V. & Rozhin, A. G. 2012 In : Chemical Science. 3, 2, p. 541-548 8 p.

    Research output: Research - peer-reviewArticle

  8. Molecular-scale insights into the mechanisms of ionic liquids interactions with carbon nanotubes

    Frolov, A. I., Kirchner, K., Kirchner, T. & Fedorov, M. V. 2012 In : Faraday Discussions. 154, p. 235-247 13 p.

    Research output: Research - peer-reviewArticle

  9. Probing the neutral graphene-ionic liquid interface: insights from molecular dynamics simulations

    Fedorov, M. V. & Lynden-Bell, R. M. 2012 In : Physical Chemistry Chemical Physics. 14, 8, p. 2552-2556 5 p.

    Research output: Research - peer-reviewArticle