50 citations · 155 across the 17 of their papers we have counts for
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physics.chem-ph2009★ 4 cited
IR Spectrum of the O-HO Hydrogen Bond of Phthalic Acid Monomethylester in Gas Phase and in CCl Solution
Yun-an Yan, M. Petković, Gireesh M. Krishnan +1
The absorption spectrum of the title compound in the spectral range of the Hydrogen-bonded OH-stretching vibration has been investigated using a five-dimensional gas phase model as…
physics.chem-ph2009
QM/MM Simulation of the Hydrogen Bond Dynamics of an Adenine:Uracil Base Pair in Solution. Geometric Correlations and Infrared Spectrum
Yun-an Yan, Oliver Kühn
Hybrid QM(DFT)/MM molecular dynamics simulations have been carried out for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and 1-cyclohexyluracil in deuterochloroform solutio…