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On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water
by
Ojha, Deepak
,
Karhan, Kristof
,
Kühne, Thomas D
Published in
Scientific reports
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Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
by
Kessler, Jan
,
Elgabarty, Hossam
,
Spura, Thomas
,
Karhan, Kristof
,
Partovi-Azar, Pouya
,
Hassanali, Ali A
,
Kühne, Thomas D
Published in
The journal of physical chemistry. B
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On the role of interfacial hydrogen bonds in "on-water" catalysis
by
Karhan, Kristof
,
Khaliullin, Rustam Z
,
Kühne, Thomas D
Published in
The Journal of chemical physics
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Impact of finite‐temperature and condensed‐phase effects on theoretical X‐ray absorption spectra of transition metal complexes
by
Müller, Patrick
,
Karhan, Kristof
,
Krack, Matthias
,
Gerstmann, Uwe
,
Schmidt, Wolf Gero
,
Bauer, Matthias
,
Kühne, Thomas D.
Published in
Journal of computational chemistry
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