Aromatic amino acid-metal ion interactions: comparative effects of alkali and Zn<sup>2+</sup> on acidity and coordination behavior via QM studies. [PDF]
Amino AcidsKalhor S, Fattahi A.
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Is the Matrix Completion of Reduced Density Matrices Unique? [PDF]
J Phys Chem LettMassaccesi GE +6 more
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Investigating the Effects of Electron Correlation and Methylation on the <i>S</i><sub>1</sub>/<i>S</i><sub>0</sub> Conical Intersection Seam of Fulvene. [PDF]
J Chem Theory ComputSegarra-Martí J, Bearpark MJ.
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Neighboring Alkali Cations as an Efficient Strategy for N<sub>2</sub> Activation: A DFT Analysis. [PDF]
Int J Mol SciVilla-Arpi JC +3 more
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Simulation of bone fracture and cutting using the theory of critical distances
, 2008 This work was concerned with the prediction of bone fracture in situations where fracture was initiated in areas of stress concentration. Two conditions were studied: (i) fracture in bones and bone samples weakened by the introduction of holes, notches and cracks; (ii) fracture during indentation with a sharp metal blade as occurs during cutting of ...
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Stabilities of Ac<sup>3+</sup> Complexes Relevant as Radiopharmaceuticals. [PDF]
Inorg ChemFreire-García A +4 more
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Acquiring Focus on Paramagnetic Single-Atom Sites with Fast Magic-Angle Spinning NMR. [PDF]
J Am Chem SocMylonas-Margaritis I +3 more
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Prediction of strong Cu(I)-He interaction at open metal sites enables isotope-selective helium adsorption. [PDF]
Nat CommunDongmo EG +4 more
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Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment. [PDF]
ChemistryGao CY +5 more
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Electronic reactivity and drug binding in doped cycloparaphenylenes: toward multifunctional platforms for biosensing and targeted drug delivery. [PDF]
RSC AdvShwayyea NB +4 more
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