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Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble Scivetti I, Sen K, Elena AM, Todorov I Journal of Physical Chemistry A, 124(37), 7585, 2020 |
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Nanostructures Boost the Thermoelectric Performance of PbS Johnsen S, He JQ, Androulakis J, Dravid VP, Todorov I, Chung DY, Kanatzidis MG Journal of the American Chemical Society, 133(10), 3460, 2011 |
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Thermoelectrics from Abundant Chemical Elements: High-Performance Nanostructured PbSe-PbS Androulakis J, Todorov I, He JQ, Chung DY, Dravid V, Kanatzidis M Journal of the American Chemical Society, 133(28), 10920, 2011 |
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Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6): A Zintl Phase with Incomplete Electron Transfer Todorov I, Chung DY, Ye LH, Freeman AJ, Kanatzidis MG Inorganic Chemistry, 48(11), 4768, 2009 |
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CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties Todorov I, Chung DY, Malliakas CD, Li QA, Bakas T, Douvalis A, Trimarchi G, Gray K, Mitchell JF, Freeman AJ, Kanatzidis MG Journal of the American Chemical Society, 131(15), 5405, 2009 |
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CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge Transport Properties (vol 131, pg 5405, 2009) Todorov I, Chung DY, Malliakas CD, Li Q, Bakas T, Douvalis A, Trimarchi G, Gray K, Mitchell JF, Freeman AJ, Kanatzidis MG Journal of the American Chemical Society, 131(48), 17719, 2009 |
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In search of cyclohexane-like Sn-6(12-): Synthesis of Li(2)Ln(5)Sn(7) (Ln = Ce, Pr, Sm, Eu) with an open-chain heptane-like Sn-7(16-) instead Todorov I, Sevov SC Inorganic Chemistry, 46(10), 4044, 2007 |
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In search of benzene-like Sn-6(6-): Synthesis of Na4CaSn6 with interconnected cyclohexane-like Sn-6(6-) Todorov I, Sevov SC Inorganic Chemistry, 45(11), 4478, 2006 |
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Heavy-metal aromatic and conjugated species: Rings, oligomers, and chains of tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3 Todorov I, Sevov SC Inorganic Chemistry, 44(15), 5361, 2005 |
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Heavy-metal aromatic rings: Cyclopentadienyl anion analogues Sn-5(6) and Pb-5(6-) in the zintl phases Na8BaPb6, Na8BaSn6, and Na8EuSn6 Todorov I, Sevov SC Inorganic Chemistry, 43(20), 6490, 2004 |