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First-Principles Investigation of the Atomic and Electronic Structure and Magnetic Moments in Gold Nanoclusters
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Relative Permittivity and Dipole Moments of Replacement Refrigerant Mixtures (R408A and R409A) in the Liquid State
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Extraordinary attributes of 2-dimensional MoS2 nanosheets
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Coupling between magnetic ordering and structural instabilities in perovskite biferroics: A first-principles study
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Dielectric Properties of 1,1,1,3,3-Pentafluoropropane (HFC-245fa) †
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Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis
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Competing Cation–Anion Interactions and Noncentrosymmetry in Metal Oxide-Fluorides: A First-Principles Theoretical Study
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Wannier orbital overlap population (WOOP), Wannier orbital position population (WOPP) and the origin of anomalous dynamical charges
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Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis
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First-Principles Theory, Coarse-Grained Models, and Simulations of Ferroelectrics
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[IEEE 48th Annual IEEE Symposium on Foundations of Computer Science (FOCS'07) - Providence, RI, USA (2007.10.21-2007.10.23)] 48th Annual IEEE Symposium on Foundations of Computer Science
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Anomalies and synergy in the caloric effects of magnetoelectrics
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Thermoelectric properties of HfN/ScN metal/semiconductor superlattices: a first-principles study
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Size dependence of structural, electronic, elastic, and optical properties of selenium nanowires: A first-principles study
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Relation between the work function and Young's modulus of RhSi and estimate of Schottky-barrier height at RhSi/Si interface: An ab-initio study
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