About: Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.     Goto   Sponge   NotDistinct   Permalink

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  • 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 breaking of 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.
  • 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 breaking of 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. (en)
Title
  • Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.
  • Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies. (en)
skos:prefLabel
  • Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.
  • Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies. (en)
skos:notation
  • RIV/61388955:_____/01:54010233!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany
  • 565;584
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  • P(IAA4040904), Z(AV0Z4040901)
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  • 687560
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  • RIV/61388955:_____/01:54010233
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  • molecular clusters; - potential energy surface; - free energy surface (en)
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  • [384B792F35DC]
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  • Berlin
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  • NATO Advanced Study Institute., 73
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  • Atomic Clusters and Nanoparticles.
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  • Hobza, Pavel
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Springer-Verlag
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