Rustam Z. Khaliullin, Ph.D.
Affiliations: | 2007 | University of California, Berkeley, Berkeley, CA, United States |
Area:
Theoretical ChemistryGoogle:
"Rustam Khaliullin"Mean distance: 8.67 | S | N | B | C | P |
Parents
Sign in to add mentor| Martin Head-Gordon | grad student | 2007 | UC Berkeley | |
| (Ab initio electronic structure methods for intermolecular interactions.) | ||||
| Thomas D. Kühne | post-doc | 2012-2014 | Universität Mainz | |
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Publications
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| Yun Y, Khaliullin RZ, Jung Y. (2022) Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid Water. Journal of the American Chemical Society |
| Kühne TD, Iannuzzi M, Del Ben M, et al. (2020) CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 152: 194103 |
| Sahoo SK, Heske J, Azadi S, et al. (2020) On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 10: 5832 |
| Kühne TD, Iannuzzi M, Del Ben M, et al. (2020) CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations The Journal of Chemical Physics. 152: 194103 |
| Yun Y, Khaliullin RZ, Jung Y. (2019) Low-dimensional Confined Ice Has the Electronic Signature of Liquid Water. The Journal of Physical Chemistry Letters |
| Shi Y, Scheiber HO, Khaliullin RZ. (2018) Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water. The Journal of Physical Chemistry. A |
| Elgabarty H, Khaliullin RZ, Kühne TD. (2015) Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments. Nature Communications. 6: 8318 |
| Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215 |
| Karhan K, Khaliullin RZ, Kühne TD. (2014) On the role of interfacial hydrogen bonds in "on-water" catalysis. The Journal of Chemical Physics. 141: 22D528 |
| Kühne TD, Khaliullin RZ. (2014) Nature of the asymmetry in the hydrogen-bond networks of hexagonal ice and liquid water. Journal of the American Chemical Society. 136: 3395-9 |