Search Results - "Dyczmons, Volker"

Tuning the Hydrogen Bond Donor/Acceptor Isomerism in Jet-Cooled Mixed Dimers of Aliphatic Alcohols by Emmeluth, Corinna, Dyczmons, Volker, Suhm, Martin A

“…Hydrogen bonded complexes between two different aliphatic alcohols exhibit donor/acceptor isomerism. In a supersonic jet expansion, the less stable isomer can…”
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Dimers of Ethanol by Dyczmons, Volker

“…The energy difference between the gauche and trans structures of ethanol is determined at the CCSD(T)/aug-cc-pVTZ level. Five classes of dimer structures exist…”
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The Trimer Structures of Hydrazine by Dyczmons, Volker

“…Twenty-eight structures of the hydrazine trimer have been investigated. Two new types of stable conformations were found. Geometry optimizations were carried…”
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Six Structures of the Hydrazine Dimer by Dyczmons, Volker

“…All possible structures of the hydrazine dimer have been investigated in a systematic way for all combinations of the two hydrazine conformers. Three…”
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Structures and vibrations of the dimers and trimers of hydrazine/water by Dyczmons, Volker

“…Energetics, geometrical structures and vibrations of complexes of the type N 2H 4(H 2O) n with n=1,2 have been determined at the MP2 and CCSD(T) levels of…”
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No N 4-dependence in the calculation of large molecules by Dyczmons, Volker

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Ab initio calculations of small hydrides including electron correlation: XII. the ions CH ? 5 and CH ? 5 by Dyczmons, Volker, Kutzelnigg, Werner

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