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Laplacian and bond critical point properties of the electron density distributions of sulfide bonds: A comparison with oxide bonds
oxide bonds electron density distributions sulfide bonds VSCCs
2012/3/31
Topologicalandbondcriticalpointpropertiesofelectrondensitydistributions,(r),were
calculatedforaseriesofsul?demolecules,containing?rst-andsecond-rowmaingroup
2(r),showthatthevalenceshellcharge
M-cat...
The coordination numbers of Na and K atoms in low albite and microcline as determined from a procrystal electron-density distribution
The coordination numbers Na and K atoms low albite microcline electron-density distribution
2012/4/9
Procrystal modelsfor the electron-density distributions oflow albite and microcline were constructed by placing spherically averaged Clementi-Roetti atomic wave functions at ex-perimentally observed a...