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First-principles insights into f magnetism A case study on some magnetic pyrochlores
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On the classical vibrational coherence of carbonyl groups in the selectivity filter backbone of the KcsA ion channel
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Density-functional study of the pure and palladium doped small copper and silver clusters
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Spin Hamiltonian order out of a Coulomb phase and pseudocriticality in the frustrated pyrochlore Heisenberg antiferromagnet FeF3
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Quantum Monte Carlo study of high-pressure cubic TiO2
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Fermi surface nesting and possibility of orbital ordering in FeO
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JuNoLo - Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy
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10.1016/j.cpc.2009.09.016 |
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Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle
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10.1103/PhysRevB.81.045401 |
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Superconductivity in heavily vacant diamond
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CO/Pt(111) : GGA density functional study of site preference for adsorption
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10.1103/PhysRevB.77.085414 |
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اثر اندازه بر طيف اپتيكي نانو مولكول هاي رنگدانه اي كومارين با استفاده از رهيافت هاي تابعي چگالي تنگابست وابسته به زمان و تابعي چگالي وابسته به زمان فوق سريع
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بررسي خواص الكتروني و مغناطيسي (A2Ti2O7(A Er Tb
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