Search Results - "Melikova, Sonia M"

Ab Initio Studies of Electron Acceptor-Donor Interactions with Blue- and Red-Shifted Hydrogen Bonds by Rodziewicz, Pawel, Rutkowski, Konstantin S., Melikova, Sonia M., Koll, Aleksander

“…The features of blue‐ and red‐shifted electron acceptor–donor (ACH/B) hydrogen bonds have been compared by using quantum chemical calculations. The geometry,…”
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A Cryosolution Infrared Study of the Complexes of Fluoroform with Ammonia and Pyridine:  Evidence for a C−H···N Pseudo Blue-Shifting Hydrogen Bond by Herrebout, Wouter A, Melikova, Sonia M, Delanoye, Sofie N, Rutkowski, Konstantin S, Shchepkin, Dimitri N, van der Veken, Benjamin J

“…Mid-infrared spectra of mixed solutions in liquid xenon containing fluoroform and either ammonia or pyridine have been investigated at temperatures between 173…”
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A cryosolution FTIR and ab initio study of the blue shifting C–H···F hydrogen bonded complexes F2ClCH·FCD3 and Cl2FCH·FCD3 by Rutkowski, Konstantin S., Herrebout, Wouter A., Melikova, Sonia M., van der Veken, Benjamin J., Koll, Aleksander

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Car-Parrinello Molecular Dynamics Study of a Blue-Shifted Intermolecular Weak-Hydrogen-Bond System by Rodziewicz, Pawel, Melikova, Sonia M., Rutkowski, Konstantin S., Buda, Francesco

“…Fluoroform–CO interactions in the liquid phase at 100 K were studied by Car–Parrinello molecular dynamics (CPMD) calculations. The authors confirmed that this…”
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A cryosolution FTIR and ab initio study of the blue shifting C–H···F hydrogen bonded complexes F 2ClCH · FCD 3 and Cl 2FCH · FCD 3 by Rutkowski, Konstantin S., Herrebout, Wouter A., Melikova, Sonia M., van der Veken, Benjamin J., Koll, Aleksander

“…The mid (4000–500 cm −1) and near (10,000–4000 cm −1) infrared spectra of solutions in liquid krypton containing mixtures of F 2ClCH and FCD 3 or of Cl 2FCH…”
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Car-Parrinello Molecular Dynamics Study of the Blue-Shifted F3CH⋅⋅⋅FCD3 System in Liquid N2 by Rodziewicz, Pawel, Rutkowski, Konstanty S., Melikova, Sonia M., Koll, Aleksander, Buda, Francesco

“…Fluoroform, as confirmed by both experimental and theoretical studies, can participate in improper H‐bond formation, which is characterized by a noticeable…”
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Car–Parrinello Molecular Dynamics Study of the Blue‐Shifted F 3 CH⋅⋅⋅FCD 3 System in Liquid N 2 by Rodziewicz, Pawel, Rutkowski, Konstanty S., Melikova, Sonia M., Koll, Aleksander, Buda, Francesco

“…Abstract Fluoroform, as confirmed by both experimental and theoretical studies, can participate in improper H‐bond formation, which is characterized by a…”
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Car-Parrinello molecular dynamics study of the blue-shifted F3CH...FCD3 system in liquid N2 by Rodziewicz, Pawel, Rutkowski, Konstanty S, Melikova, Sonia M, Koll, Aleksander, Buda, Francesco

“…Fluoroform, as confirmed by both experimental and theoretical studies, can participate in improper H-bond formation, which is characterized by a noticeable…”
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A cryosolution infrared study of the complexes of fluoroform with ammonia and pyridine: Evidence for a C-H...N pseudo blue-shifting hydrogen bond by Herrebout, Wouter A, Melikova, Sonia M, Delanoye, Sofie N, Rutkowski, Konstantin S, Shchepkin, Dimitri N, van der Veken, Benjamin J

“…Mid-infrared spectra of mixed solutions in liquid xenon containing fluoroform and either ammonia or pyridine have been investigated at temperatures between 173…”
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Ab initio studies of electron acceptor-donor interactions with blue- and red-shifted hydrogen bonds by RODZIEWICZ, Pawel, RUTKOWSKI, Konstantin S, MELIKOVA, Sonia M, KOLL, Aleksander

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Car-parrinello molecular dynamics study of a blue-shifted intermolecular weak-hydrogen-bond system by RODZIEWICZ, Pawel, MELIKOVA, Sonia M, RUTKOWSKI, Konstantin S, BUDA, Francesco

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Car-parrinello molecular dynamics study of the blue-shifted F3CH···FCD3 system in liquid N2 by RODZIEWICZ, Pawel, RUTKOWSKI, Konstanty S, MELIKOVA, Sonia M, KOLL, Aleksander, BUDA, Francesco

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