Manifestations of anticooperativity in energy and structural characterisrics of F-x(HF)n, AlkFx(HF)n and HalFx(HF)n clusters: hydrogen bond F...HF. / Bureiko, S.F; Denisov, G.S.; Kucherov, S.Yu.
2015. Р. 13 Abstract from XXIth International Conference on Horizons In Hydrogen Bond Research “HBond2015”, Wrocław, Poland.Research output: Contribution to conference › Abstract
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TY - CONF
T1 - Manifestations of anticooperativity in energy and structural characterisrics of F-x(HF)n, AlkFx(HF)n and HalFx(HF)n clusters: hydrogen bond F...HF.
AU - Bureiko, S.F
AU - Denisov, G.S.
AU - Kucherov, S.Yu.
N1 - Conference code: XXI
PY - 2015
Y1 - 2015
N2 - Systematic study of the manifestations of anticooperativity over a large range (42 - 1 kcal/mol) of energies of H-bonding. For the first time, the energies, geometrical parameters and vibrational frequencies are obtained for the series of the Fx(HF)n clusters.
AB - Systematic study of the manifestations of anticooperativity over a large range (42 - 1 kcal/mol) of energies of H-bonding. For the first time, the energies, geometrical parameters and vibrational frequencies are obtained for the series of the Fx(HF)n clusters.
M3 - Abstract
SP - Р. 13
T2 - XXIth International Conference on Horizons In Hydrogen Bond Research “HBond2015”
Y2 - 12 September 2015 through 17 September 2015
ER -
ID: 6937178