Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. [PDF]
Chem SciRomano-deGea J +10 more
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Competing bonding and anharmonicity control piezoelectricity and thermal transport in janus BrSbX monolayers. [PDF]
RSC AdvChu VH +5 more
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A[A<sub>6</sub>Ch][Si<sub>12</sub>P<sub>20</sub>] (A = Sr, Ba; Ch = S, Se, Te): achieving a wide band gap in pnictides by constructing [A<sub>6</sub>Ch] octahedral ionic units. [PDF]
Chem SciJiang H, Peng G, Ye N, Chen J.
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Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction. [PDF]
J Chem Theory ComputShahi C +8 more
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First-principles study of AlGaSi<sub>2</sub>X<sub>6</sub> (X = S, Se, Te) monolayers: structural, electronic, transport and photocatalytic properties. [PDF]
RSC AdvHo TH +5 more
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Chalcogen bonding-directed photoresponsive helix from azo-fused H-bonded arylamide foldamers. [PDF]
Chem SciLiu CZ +9 more
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From NO to NTe: <i>In Silico</i> Study of Ruthenium Compounds Containing Chalcogenonitrosyl Ligands. [PDF]
ACS OmegaGlitz V +3 more
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Exploration of the interaction strength at the interface of neutral chalcogen ligands and gold surfaces. [PDF]
RSC AdvGarzón TA +4 more
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Structural and Electronic Reconstruction of Extended Defects in Pnictogen Chalcohalides. [PDF]
J Phys Chem LettLynch T +3 more
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Computational investigation of CO<sub>2</sub> hydrogenation and electrochemical reduction to formic acid and methanol using chalcogen-doped nitrogen-graphene nanoflake as a metal-free catalyst. [PDF]
Sci RepVakili M +4 more
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