Llunell M - Search Results

1

Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes.

Carreras A , Fuligni L , Alemany P , Llunell M , Bofill JM , Quapp W . Carreras A , et al. Among authors: llunell m. Phys Chem Chem Phys. 2019 May 29;21(21):11395-11404. doi: 10.1039/c8cp07164k. Phys Chem Chem Phys. 2019. PMID: 31111125

2

Conformational analysis of molecular machines: internal rotation and enantiomerization in triptycyl[3]helicene.

Llunell M, Alemany P, Bofill JM. Llunell M, et al. Chemphyschem. 2008 Jun 2;9(8):1117-9. doi: 10.1002/cphc.200800052. Chemphyschem. 2008. PMID: 18428115 No abstract available.

3

Effects of Temperature on the Shape and Symmetry of Molecules and Solids.

Carreras A, Bernuz E, Marugan X, Llunell M, Alemany P. Carreras A, et al. Among authors: llunell m. Chemistry. 2019 Jan 14;25(3):673-691. doi: 10.1002/chem.201801682. Epub 2018 Nov 12. Chemistry. 2019. PMID: 30025191 Review.

4

Electronic structure of Li2Ga and Li9Al4, two solids containing infinite and uniform zigzag chains.

Alemany P, Llunell M, Canadell E. Alemany P, et al. Among authors: llunell m. Inorg Chem. 2005 Jan 24;44(2):374-81. doi: 10.1021/ic049003t. Inorg Chem. 2005. PMID: 15651884

5

Electronic structure of the K3Bi2 metallic phase.

Alemany P, Llunell M, Canadell E. Alemany P, et al. Among authors: llunell m. Inorg Chem. 2005 Mar 21;44(6):1644-6. doi: 10.1021/ic048239u. Inorg Chem. 2005. PMID: 15762690

6

Roles of cations, electronegativity difference, and anionic interlayer interactions in the metallic versus nonmetallic character of Zintl phases related to arsenic.

Alemany P, Llunell M, Canadell E. Alemany P, et al. Among authors: llunell m. J Comput Chem. 2008 Oct;29(13):2144-53. doi: 10.1002/jcc.20989. J Comput Chem. 2008. PMID: 18473357

7

Host-guest interactions, uniform vs fragmented linear atom chains and likeliness of Peierls distortions in the (Ca7N4)[M(x)] (M = Ag, Ga, In) phases.

Alemany P, Llunell M, Canadell E. Alemany P, et al. Among authors: llunell m. Inorg Chem. 2009 Apr 6;48(7):2919-31. doi: 10.1021/ic801983a. Inorg Chem. 2009. PMID: 19249869

8

Electronic structure and magnetic properties of potassium ozonide KO(3).

Llunell M, Alemany P, Moreira Ide P. Llunell M, et al. Inorg Chem. 2009 Jul 6;48(13):5938-45. doi: 10.1021/ic900287h. Inorg Chem. 2009. PMID: 19463009

9

Concerning the different roles of cations in metallic Zintl phases: Ba7Ga4Sb9 as a test case.

Alemany P, Llunell M, Canadell E. Alemany P, et al. Among authors: llunell m. Inorg Chem. 2006 Sep 4;45(18):7235-41. doi: 10.1021/ic0608187. Inorg Chem. 2006. PMID: 16933924

10

Electronic structure and spin exchange interactions in Na(2)V(3)O(7): a vanadium(IV) oxide nanotubular phase.

Rodríguez-Fortea A, Llunell M, Alemany P, Canadell E. Rodríguez-Fortea A, et al. Among authors: llunell m. Inorg Chem. 2009 Jul 6;48(13):5779-89. doi: 10.1021/ic900105u. Inorg Chem. 2009. PMID: 19480442

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