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X-ray charge density study of the 6-methyluracil derivative in the crystal: Revealing, consequences, and multipole refinement of minor static disorder

Sergey A. Shteingolts, Alina F. Saifina, Liliya F. Saifina, Vyacheslav E. Semenov, Georgy K. Fukin, Robert R. Fayzullin

2020Journal of Molecular Structure28 citationsDOI

Topics & Concepts

Multipole expansionChemistryFast multipole methodEigenvalues and eigenvectorsHessian matrixMinor (academic)Crystal structureComputational chemistryCrystallographyPhysicsMathematicsQuantum mechanicsApplied mathematicsPolitical scienceLawCrystallography and molecular interactionsCrystal structures of chemical compoundsMetal complexes synthesis and properties
X-ray charge density study of the 6-methyluracil derivative in the crystal: Revealing, consequences, and multipole refinement of minor static disorder | Litcius