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Angewandte Chemie (International Ed. in English)|July 27, 2022
Rational Design of Superconducting Metal Hydrides via Chemical Pressure TuningKaterina P Hilleke, Eva ZurekNpj Computational Materials|March 2, 2026
A chemical bonding based descriptor for predicting the role of anharmonicity induced by quantum nuclear effects in hydride superconductorsFrancesco Belli, Eva Zurek, Ion ErreaPhysical Chemistry Chemical Physics : PCCP|August 16, 2016
Computational prediction and analysis of the (27)Al solid-state NMR spectrum of methylaluminoxane (MAO) at variable temperatures and field strengthsZackary Falls, Eva Zurek, Jochen AutschbachAngewandte Chemie (International Ed. in English)|October 13, 2009
A molecular perspective on lithium-ammonia solutionsEva Zurek, Peter P Edwards, Roald HoffmannInorganic Chemistry|January 14, 2010
Searching for the interlayer band and unravelling the bonding in beta-ThSi(2) and alpha-ThSi(2) with NMTO Wannier-like functionsEva Zurek, Ove Jepsen, Ole Krogh AndersenJournal of the American Chemical Society|March 21, 2007
A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubesEva Zurek, Chris J Pickard, Jochen AutschbachThe Journal of Chemical Physics|March 16, 2015
Self-assembly of strongly dipolar molecules on metal surfacesDonna A Kunkel, James Hooper, Scott Simpson, et al.ACS Nano|February 7, 2017
Graphene-like Boron-Carbon-Nitrogen MonolayersSumit Beniwal, James Hooper, Daniel P Miller, et al.Journal of the American Chemical Society|February 24, 2011
(Barely) solid Li(NH3)4: the electronics of an expanded metalEva Zurek, Xiao-Dong Wen, Roald HoffmannChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Muffin-tin orbital Wannier-like functions for insulators and metalsEva Zurek, Ove Jepsen, Ole Krogh AndersenPageof 15