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Träfflista för sökning "WFRF:(Contreras A) srt2:(1997-1999)"

Search: WFRF:(Contreras A) > (1997-1999)

  • Result 1-4 of 4
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  • Contreras, R, et al. (author)
  • Theory of non-local (pair site) reactivity from model static-density response functions
  • 1998
  • In: THEORETICAL CHEMISTRY ACCOUNTS. - : SPRINGER VERLAG. - 1432-881X. ; 99:3, s. 183-191
  • Journal article (other academic/artistic)abstract
    • Activation is a fundamental and well-known concept in chemistry, It may be qualitatively, defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a different site l, say. This exter
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4.
  • Perez, P, et al. (author)
  • Relationship between the electronic chemical potential and proton transfer barriers
  • 1997
  • In: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 269:5-6, s. 419-427
  • Journal article (peer-reviewed)abstract
    • Gas phase proton transfer (PT) reactions in an isoelectronic series of neutral, positively and negatively charged hydrogen-bonded systems are analyzed using density functional theory calculations, Based on an equation of state relating the difference in p
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  • Result 1-4 of 4

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