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Intermolecular interactions of polydimethylsiloxane oligomers with hydroxylated and silylated fumed silica. Quantum-chemical modelling particles and polydimethylsiloxane (PDMS) polymers, a quantum-chemical modelling in the framework

Water at the interface modified silica filler-polydimethylsiloxane: quantum-chemical modelling, decreasing the interaction energy and promoting the PDMS molecule motion over the tiller surface. A quantum-chemical

Intermolecular Interactions of Polydimethylsiloxane Oligomers with Hydroxylated and Silylated Fumed Silica: Quantum Chemical Modeling particles and polydimethylsiloxane (PDMS) polymers, a quantum-chemical modelling in the framework

Quantum-chemical modeling of squaric acid ferroelectric behaviorO4/D 2C4O4 are studied by quantum-chemical approach using pseudospin formalism in frames of Ising

Quantum-chemical modeling of the metal chelate cycles of methylphloroglucine phenylazo derivativesWe performed quantum-chemical modeling of five- and sixmembered metalchelate cycles of the complex

Investigation of complex formation between hydroxyapatite and fragments of collagen by NMR spectroscopy and quantum-chemical modeling. The results of DFT quantum-chemical calculations of electron and spatial structure of model compounds allowed

Mechanical Behavior of Polydimethylsiloxanes under Deformation, Quantum-Chemical View mechanochemical reaction. The quantum-chemical realization of the approach is based on a coordinate

Investigation of complex formation between hydroxyapatite and fragments of collagen by NMR spectroscopy and quantum-chemical modeling. The results of DFT quantum-chemical calculations of electron and spatial structure of model compounds allowed

Quantum chemical modeling of exchange coupling in the magnetic sublattice of bifunctional compounds.Quantum chemical modeling of exchange coupling in the magnetic sublattice of bifunctional compounds.

The quantum chemical modeling of adamantane reactions with propyleneThe quantum chemical modeling of adamantane reactions with propylene

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