Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).

We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.

22 Publications


2017 | Journal Article | LibreCat-ID: 34304
Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy
L.K. Scarbath-Evers, S. Jähnigen, H. Elgabarty, C. Song, R. Narikawa, J. Matysik, D. Sebastiani, Physical Chemistry Chemical Physics 19 (2017) 13882–13894.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 34306
The annular tautomerism of lithium 1,2,3-triazolate
M. Pulst, H. Elgabarty, D. Sebastiani, J. Kressler, New Journal of Chemistry 41 (2017) 1430–1435.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 34305
Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids
S. Pylaeva, K.L. Ivanov, M. Baldus, D. Sebastiani, H. Elgabarty, The Journal of Physical Chemistry Letters 8 (2017) 2137–2142.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 34307
“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
T. Spura, H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 17 (2015) 14355–14359.
LibreCat | DOI
 

2015 | Journal Article | LibreCat-ID: 34309
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T. Kühne, The Journal of Physical Chemistry B 119 (2015) 10079–10086.
LibreCat | DOI
 

Filters and Search Terms

(person=60250)

status=public

Search

Filter Publications

Display / Sort

Export / Embed