Publications associées à Hybridation (chimie)

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Redetermination of di-$\mu$-hydroxido- bis[diaquachloridodioxidouranium(VI)] from single-crystal synchrotron data

Philip Pattison

The title compound,

(UO_2)_2Cl_2(OH)_2(H_2O)_4

, was obtained unintentionally as the product of an attempted reaction between uranium(VI) oxide dihydrate,

UO_3·2H_2O

, and hydrogen bis(trifluoromethylsulfonyl)imide

(HTf_2N)

, in an experiment to obtain ...

2010

Hybridation (chimie)

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Koopmans' condition for density-functional theory

Redetermination of di-$\mu$-hydroxido- bis[diaquachloridodioxidouranium(VI)] from single-crystal synchrotron data

Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect effects

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

Determination of the single-ion anisotropy energy in a S=5/2 kagome antiferromagnet using x-ray absorption spectroscopy

First principles study of substoichiometric germanium oxides

Time-dependent density functional theory molecular dynamics simulations of liquid water radiolysis

Recent Synthetic Approaches Toward Non-anomeric Spiroketals in Natural Products

Survey Propagation Inspired Algorithms for Satisfiability

Two-dimensional quantum antiferromagnet with a fourfold degenerate dimer ground state

Redetermination of di-$\mu$-hydroxido- bis[diaquachloridodioxidouranium(VI)] from single-crystal synchrotron data

Koopmans' condition for density-functional theory

Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect effects

First principles study of substoichiometric germanium oxides

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

Time-dependent density functional theory molecular dynamics simulations of liquid water radiolysis

Determination of the single-ion anisotropy energy in a S=5/2 kagome antiferromagnet using x-ray absorption spectroscopy

Two-dimensional quantum antiferromagnet with a fourfold degenerate dimer ground state

Recent Synthetic Approaches Toward Non-anomeric Spiroketals in Natural Products

Survey Propagation Inspired Algorithms for Satisfiability