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Physical Review Letters|March 19, 2013
Zigzag magnetic order in the iridium oxide Na2IrO3Jiří Chaloupka, George Jackeli, Giniyat KhaliullinPhysical Chemistry Chemical Physics : PCCP|August 10, 2013
Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studiesRustam Z Khaliullin, Thomas D KühnePhysical Review Letters|August 16, 2020
Kitaev Spin Liquid in 3d Transition Metal CompoundsHuimei Liu, Jiří Chaloupka, Giniyat KhaliullinJournal of the American Chemical Society|February 14, 2014
Nature of the asymmetry in the hydrogen-bond networks of hexagonal ice and liquid waterThomas D Kühne, Rustam Z KhaliullinPhysical Review Letters|June 4, 2008
Analytic expressions for the statistics of the primitive-path length in entangled polymersRenat N Khaliullin, Jay D SchieberPhysical Review Letters|June 29, 2006
Magnetic properties of spin-orbital polarons in lightly doped cobaltatesM Daghofer, P Horsch, G KhaliullinJournal of Chemical Theory and Computation|November 22, 2015
Efficient Linear-Scaling Density Functional Theory for Molecular SystemsRustam Z Khaliullin, Joost VandeVondele, Jürg HutterJournal of Chemical Theory and Computation|April 2, 2025
Direct Unconstrained Optimization of Excited States in Density Functional TheoryHanh D M Pham, Rustam Z KhaliullinPhysical Review Letters|February 3, 2004
Dimerization versus orbital-moment ordering in a Mott insulator YVO3Peter Horsch, Giniyat Khaliullin, Andrzej M OleśPhysical Chemistry Chemical Physics : PCCP|November 30, 2017
Why pregnenolone and progesterone, two structurally similar steroids, exhibit remarkably different cocrystallization with aromatic moleculesZiling Luo, Tomislav Friščić, Rustam Z KhaliullinPageof 663