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The Journal of Physical Chemistry Letters|April 5, 2019
Low-Dimensional Confined Ice Has the Electronic Signature of Liquid WaterYonghwan Yun, Rustam Z Khaliullin, Yousung JungPhysical Review Letters|May 1, 2001
Spin order due to orbital fluctuations: cubic vanadatesG Khaliullin, P Horsch, A M OleśJournal of Chemical Theory and Computation|September 11, 2024
Direct Unconstrained Optimization of Molecular Orbital Coefficients in Density Functional TheoryHanh D M Pham, Rustam Z KhaliullinJournal of the American Chemical Society|July 12, 2022
Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid WaterYonghwan Yun, Rustam Z Khaliullin, Yousung JungThe Journal of Physical Chemistry. A|August 31, 2018
Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid WaterYifei Shi, Hayden Scheiber, Rustam Z KhaliullinThe Journal of Chemical Physics|June 25, 2018
Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systemsHayden Scheiber, Yifei Shi, Rustam Z KhaliullinThe Journal of Physical Chemistry Letters|November 8, 2021
Adatoms in the Surface-Confined Ullmann Coupling of Phenyl GroupsZhenzhe Zhang, Dmitrii F Perepichka, Rustam Z KhaliullinPhysical Review Letters|December 11, 2012
Magnetic couplings, optical spectra, and spin-orbit exciton in 5d electron Mott insulator Sr2IrO4Beom Hyun Kim, G Khaliullin, B I MinThe Journal of Chemical Physics|December 16, 2014
On the role of interfacial hydrogen bonds in "on-water" catalysisKristof Karhan, Rustam Z Khaliullin, Thomas D KühneNature Communications|September 16, 2015
Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experimentsHossam Elgabarty, Rustam Z Khaliullin, Thomas D KühnePageof 663