| Author | dc.contributor.author | Mendizábal Emaldía, Fernando | |
| Author | dc.contributor.author | Reyes, Dana | es_CL |
| Author | dc.contributor.author | Olea Azar, Claudio | es_CL |
| Admission date | dc.date.accessioned | 2009-05-12T17:26:17Z | |
| Available date | dc.date.available | 2009-05-12T17:26:17Z | |
| Publication date | dc.date.issued | 2006-03-15 | |
| Cita de ítem | dc.identifier.citation | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Volume: 106 Issue: 4 Pages: 906-912 Published: MAR 15 2006 | en |
| Identifier | dc.identifier.issn | 0020-7608 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/118825 | |
| Abstract | dc.description.abstract | Hydrogen bonding and metallophilic attractions are studied in the model systems: [(AuNH3Cl)(2)], [(AuNH(CH3)(2)Cl)(2)], [{Au-2(mu-SH)(PH2O)(PH2OH}(2)], [(CuNH3Cl)(2)], and [{Cu(NH3)Cl}(4)] at the Hartree-Fock (HF) and second-order Moller-Plesset (MP2) levels. The two interactions are found to be comparable and prevailing in the final structure. It is determined that the aurophilic contact has a same magnitude that the hydrogen bonding, and is stronger than the cuprophilic interaction. The presence of hydrogen bond directs the growth of the crystal. | en |
| Lenguage | dc.language.iso | en | en |
| Publisher | dc.publisher | JOHN WILEY | en |
| Keywords | dc.subject | CLOSED-SHELL INTERACTIONS | en |
| Título | dc.title | Complexes self-associate by hydrogen bonding and metallophilic attraction: Theoretical study | en |
| Document type | dc.type | Artículo de revista | |
