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6 results found
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title
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1
A theoretical study on intermolecular hydrogen bonds of isopropanol-water clusters
Guo, Senqi
141
1
article
2
Charge transfer excitations and constrained density functional theory
Carmona-Espíndola, Javier
141
1
article
3
Computational analysis of altered one- and two-photon CD of sterols inside a protein binding pocket
Prioli, Salvatore
141
1
article
4
Hammett constants from density functional calculations: charge transfer and perturbations
Miranda-Quintana, Ramón Alain
141
1
article
5
Structural design and physicochemical specifications exploring of the new di-cationic ionic liquids (D-ILs) composed of para-xylyl linked N-Methylimidazolium cation and various anions: a full M06–2X computational study
Khalili, Behzad
141
1
article
6
Trends of chemical ordering in Pt-based nanoalloys
Front, Alexis
141
1
article
6 results found
Koninklijke Bibliotheek -
National Library of the Netherlands