All

What are you looking for?

All
Projects
Results
Organizations

Quick search

  • Projects supported by TA ČR
  • Excellent projects
  • Projects with the highest public support
  • Current projects

Smart search

  • That is how I find a specific +word
  • That is how I leave the -word out of the results
  • “That is how I can find the whole phrase”

Theoretical study on the interaction of the ammonium cation with decamethylcucurbit[5]uril

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F14%3A43897174" target="_blank" >RIV/60461373:22340/14:43897174 - isvavai.cz</a>

  • Alternative codes found

    RIV/60460709:41330/14:64657

  • Result on the web

    <a href="http://dx.doi.org/10.1007/s00706-014-1182-0" target="_blank" >http://dx.doi.org/10.1007/s00706-014-1182-0</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1007/s00706-014-1182-0" target="_blank" >10.1007/s00706-014-1182-0</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Theoretical study on the interaction of the ammonium cation with decamethylcucurbit[5]uril

  • Original language description

    By using quantum mechanical density functional theory (DFT) calculations, the most probable structure of the decamethylcucurbit[5]uril-NH4 (+) cationic complex species was derived. In this complex, the ammonium cation NH4 (+) is bound by one linear hydrogen bond and two bifurcated hydrogen bonds to the five carbonyl oxygens of the parent macrocyclic receptor. The interaction energy of the resulting cationic complex was found to be -372.0 kJ mol(-1), which confirms the formation of this complex species.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CB - Analytical chemistry, separation

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2014

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Monatshefte für Chemie

  • ISSN

    0026-9247

  • e-ISSN

  • Volume of the periodical

    145

  • Issue of the periodical within the volume

    8

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    4

  • Pages from-to

    1243-1246

  • UT code for WoS article

    000339378800003

  • EID of the result in the Scopus database