Rustam Z. Khaliullin, Ph.D.

2007 University of California, Berkeley, Berkeley, CA 
Theoretical Chemistry
"Rustam Khaliullin"
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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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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
Li CC, Wang H, Sim MM, et al. (2020) Empowering alcohols as carbonyl surrogates for Grignard-type reactions. Nature Communications. 11: 6022
Luo Z, Khaliullin RZ. (2020) Direct unconstrained variable-metric localization of one-electron orbitals. Journal of Chemical Theory and Computation
Fang Y, Lindner BD, Destoop I, et al. (2020) Stereospecific Epitaxial Growth of Bilayered Porous Molecular Networks. Journal of the American Chemical Society
Sahoo SK, Heske J, Azadi S, et al. (2020) On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports. 10: 5832
Qiu Z, Pham HDM, Li J, et al. (2019) Light-enabled metal-free pinacol coupling by hydrazine. Chemical Science. 10: 10937-10943
Yun Y, Khaliullin RZ, Jung Y. (2019) Low-dimensional Confined Ice Has the Electronic Signature of Liquid Water. The Journal of Physical Chemistry Letters
Odette WL, Payne NA, Khaliullin RZ, et al. (2019) Redox-triggered disassembly of nanosized liposomes containing ferrocene-appended amphiphiles. Langmuir : the Acs Journal of Surfaces and Colloids
Staub R, Iannuzzi M, Khaliullin RZ, et al. (2018) Energy Decomposition Analysis for Metal Surface -- Adsorbate Interactions by Block Localized Wave Functions. Journal of Chemical Theory and Computation
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
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