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Issue DateTitleAuthor(s)
2014-03-11CH<inf>x</inf> adsorption (x = 1-4) and thermodynamic stability on the CeO<inf>2</inf>(111) surface: A first-principles investigationFronzi, M; Piccinin, S; Delley, B; Traversa, E; Stampfl, C
2017-05-18Near-Perfect Spin Filtering and Negative Differential Resistance in an Fe(II)S ComplexTawfik, SA; Weston, L; Cui, XY; Ringer, SP; Stampfl, C
2017-01-01Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbonKratzer, P; Tawfik, SA; Cui, XY; Stampfl, C
2015-01-01Multiple CO<inf>2</inf> capture in stable metal-doped graphene: A theoretical trend studyTawfik, SA; Cui, XY; Ringer, SP; Stampfl, C
2019-01-01Efficient Prediction of Structural and Electronic Properties of Hybrid 2D Materials Using Complementary DFT and Machine Learning ApproachesTawfik, SA; Isayev, O; Stampfl, C; Shapter, J; Winkler, DA; Ford, MJ
2018-03-22Evaluation of van der Waals density functionals for layered materialsTawfik, SA; Gould, T; Stampfl, C; Ford, MJ
2017-11-30TDDFT Study of the Optical Excitation of Nucleic Acid Bases-C<inf>60</inf> ComplexesTawfik, SA; Cui, XY; Ringer, SP; Stampfl, C
2013-01-03Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principlesFair, KM; Cui, XY; Li, L; Shieh, CC; Zheng, RK; Liu, ZW; Delley, B; Ford, MJ; Ringer, SP; Stampfl, C
2015-03-14Sensing sulfur-containing gases using titanium and tin decorated zigzag graphene nanoribbons from first-principlesAbdulkader Tawfik, S; Cui, XY; Carter, DJ; Ringer, SP; Stampfl, C
2018-01-01Magnetic properties of stoichiometric and defective Co<inf>9</inf>S<inf>8</inf>Fronzi, M; Tawfik, SA; Stampfl, C; Ford, MJ
Results 1-10 of 12 (Search time: 0.201 seconds).