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Showing 5 out of a total of 15 results. (0.004 seconds)

Now showing items 11-15 of 15

Supramolecular self-assembly of M-IDA complexes involving lone pair center dot center dot center dot pi interactions: crystal structures, Hirshfield surface analysis, and DFT calculations [H(2)IDA =iminodiacetic acid, M = Cu(II), Ni(II)]

Seth, Saikat Kumar; Saha, Indranil; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata
Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis

Das, Amrita; Choudhury, Somnath Ray; Estarellas Martín, Carolina; Dey, Biswajit; Frontera Beccaria, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata
Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Theoretical and Crystallographic Study of edge-to-face aromatic interactions between pyridine moieties and benzene

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria

Now showing items 11-15 of 15

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- Estarellas Martín, Carolina (15)
- Frontera Beccaria, Antonio (15)
- Deyà Serra, Pere Maria (9)
- Quiñonero Santiago, David (9)
- Ghosh, Ashutosh (3)
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- 54 - Chemistry. Crystallography. Mineralogy (15)
- 54 - Química (15)
- Dihydrogen bonds (1)
- fluorine-fluorine interactions (1)
- Halogen bonds (1)
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