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The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F22%3A73618683" target="_blank" >RIV/61989592:15640/22:73618683 - isvavai.cz</a>

  • Alternative codes found

    RIV/61388963:_____/23:00557911 RIV/61989100:27740/23:10252597

  • Result on the web

    <a href="https://onlinelibrary.wiley.com/doi/10.1002/jcc.26928" target="_blank" >https://onlinelibrary.wiley.com/doi/10.1002/jcc.26928</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1002/jcc.26928" target="_blank" >10.1002/jcc.26928</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments

  • Original language description

    Here, the effect of solvent on the stability of non-covalent complexes, was studied. These complexes were from previously published S22, S66, and X40 datasets, which include hydrogen-, halogen- and dispersion-bonded complexes. It was shown that the charge transfer in the complex determines whether the complex is stabilized or destabilized in solvent.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    21002 - Nano-processes (applications on nano-scale); (biomaterials to be 2.9)

Result continuities

  • Project

    <a href="/en/project/GX19-27454X" target="_blank" >GX19-27454X: Control of electronic properties of metal-containing molecules through their noncovalent interactions with solvents, ligands and 2D nanosystems</a><br>

  • Continuities

    S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2022

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Computational Chemistry

  • ISSN

    0192-8651

  • e-ISSN

    1096-987X

  • Volume of the periodical

    44

  • Issue of the periodical within the volume

    3

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    5

  • Pages from-to

    "329 "- 333

  • UT code for WoS article

    000800162500001

  • EID of the result in the Scopus database

    2-s2.0-85130593817