Electronic structure of a single MoS2 monolayer von Kadantsev, Eugene S., Hawrylak, Pawel

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Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption von Kadantsev, Eugene S, Boyd, Peter G, Daff, Thomas D, Woo, Tom K

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Electronic structure and excitations in oligoacenes from ab initio calculations von Kadantsev, Eugene S, Stott, M J, Rubio, Angel

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Absolute deformation potentials and robust ab initio model for band shifts induced by (001) biaxial strain in group IIIA-VA semiconductors von Kadantsev, Eugene S., Hawrylak, Pawel

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Band engineering in nanowires: Ab initio model of band edges modified by (111) biaxial strain in group IIIA-VA semiconductors von Kadantsev, Eugene S., Zieliński, Michał, Hawrylak, Pawel

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Implementation of a DFT-Based Method for the Calculation of the Zeeman g-Tensor in Periodic Systems with the Use of Numerical and Slater-Type Atomic Orbitals von Kadantsev, Eugene S, Ziegler, Tom

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Studying Reduction in Solid Oxide Fuel Cell Activity with Density Functional Theory− Effects of Hydrogen Sulfide Adsorption on Nickel Anode Surface von Galea, Natasha M, Kadantsev, Eugene S, Ziegler, Tom

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Theory of fine structure of correlated exciton states in self-assembled semiconductor quantum dots in a magnetic field von Trojnar, Anna H., Kadantsev, Eugene S., Korkusiński, Marek, Hawrylak, Pawel

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Ab initio calculation of band edges modified by (001) biaxial strain in group IIIA–VA and group IIB–VIA semiconductors: Application to quasiparticle energy levels of strained InAs/... von Kadantsev, Eugene S., Zielinski, Michal, Korkusinski, Marek, Hawrylak, Pawel

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Theory of exciton fine structure in semiconductor quantum dots: Quantum dot anisotropy and lateral electric field von Kadantsev, Eugene, Hawrylak, Pawel

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Modeling Hydrogen Sulfide Adsorption on Mo-Edge MoS2 Surfaces under Solid Oxide Fuel Cell Conditions von Galea, Natasha M, Kadantsev, Eugene S, Ziegler, Tom

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Electronic and optical properties of semiconductor and graphene quantum dots von Sheng, Wei-dong, Korkusinski, Marek, Güçlü, Alev Devrim, Zielinski, Michal, Potasz, Pawel, Kadantsev, Eugene S., Voznyy, Oleksandr, Hawrylak, Pawel

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Implementation of a Density Functional Theory-Based Method for the Calculation of the Hyperfine A-tensor in Periodic Systems with the Use of Numerical and Slater Type Atomic Orbita... von Kadantsev, Eugene S, Ziegler, Tom

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First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids von Kadantsev, Eugene S., Ziegler, Tom

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Calculation of vibrational frequencies within the real space pseudopotential approach von KADANTSEV, Eugene S, STOTT, M. J

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An unprecedented Co II cuboctahedron as the secondary building unit in a Co-based metal–organic framework von Holmberg, Rebecca J., Kay, Marika, Korobkov, Ilia, Kadantsev, Eugene, Boyd, Peter G., Aharen, Tomoko, Desgreniers, Serge, Woo, Tom K., Murugesu, Muralee

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An unprecedented Co(II) cuboctahedron as the secondary building unit in a Co-based metal-organic framework von Holmberg, Rebecca J, Kay, Marika, Korobkov, Ilia, Kadantsev, Eugene, Boyd, Peter G, Aharen, Tomoko, Desgreniers, Serge, Woo, Tom K, Murugesu, Muralee

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The Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory von Skachkov, Dmitry, Krykunov, Mykhaylo, Kadantsev, Eugene, Ziegler, Tom

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An unprecedented CoII cuboctahedron as the secondary building unit in a Co-based metal-organic frameworkElectronic supplementary information (ESI) available: Crystallographic infor... von Holmberg, Rebecca J, Kay, Marika, Korobkov, Ilia, Kadantsev, Eugene, Boyd, Peter G, Aharen, Tomoko, Desgreniers, Serge, Woo, Tom K, Murugesu, Muralee

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An unprecedented Co super(II) cuboctahedron as the secondary building unit in a Co-based metal-organic framework von Holmberg, Rebecca J, Kay, Marika, Korobkov, Ilia, Kadantsev, Eugene, Boyd, Peter G, Aharen, Tomoko, Desgreniers, Serge, Woo, Tom K, Murugesu, Muralee

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