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Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010233" target="_blank" >RIV/61388955:_____/01:54010233 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.

  • Original language description

    Modern chemistry is based on the understanding of the chemical bond. The chemical bond implies the distribution and delocalization of electrons over the entire molecule. Molecules can interact in two ways-reactively (leading to the formation or breakingof a covalent bond) or nonreactively (formation of molecular complex). Non-covalent (van der Waals) interactions have been studied in this paper using methods of modern quantum chemistry.

  • Czech name

  • Czech description

Classification

  • Type

    C - Chapter in a specialist book

  • CEP classification

    CH - Nuclear and quantum chemistry, photo chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/IAA4040904" target="_blank" >IAA4040904: Potential energy surfaces and free energy surfaces of floppy systems</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2001

  • Confidentiality

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

Data specific for result type

  • Book/collection name

    Atomic Clusters and Nanoparticles.

  • ISBN

  • Number of pages of the result

    20

  • Pages from-to

    565-584

  • Number of pages of the book

  • Publisher name

    Springer

  • Place of publication

    Berlin

  • UT code for WoS chapter