Temperature dependence of stacking-fault and anti-phase boundary energies in Al₃Sc from ab initio calculations

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Philosophical Magazine, Vol. 93, Iss. 25, 2013-09 ,pp. : 3423-3441

Taylor & Francis Ltd

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Combined application of 2D NMR correlation methods and ab initio chemical shift calculations to the structure determination of new heterocyclic compounds

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Ab initio Probing of Magnetic and Electronic Properties of Monoclinic ε -WO 3 Doped with 3 d Transition Metals Within GGA and GGA+ U

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Ab initio interatomic potentials for low-energy He ion/atom scattering

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Ab initio Computational Modeling of Glyphosate Analogs: Conformational Perspective

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Structural Chemistry, Vol. 16, Iss. 5, 2005-10 ,pp. : 491-506

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