Calaminici P - Search Results

1

One-Pot Graphene Supported Pt₃Cu Nanoparticles-From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst.

Galindo-Uribe CD, Geudtner G, Calaminici P, Solorza-Feria O. Galindo-Uribe CD, et al. Among authors: calaminici p. Molecules. 2023 Jun 28;28(13):5072. doi: 10.3390/molecules28135072. Molecules. 2023. PMID: 37446734 Free PMC article.

2

Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.

Calaminici P, Jug K, Köster AM, Arbez-Gindre C, Screttas CG. Calaminici P, et al. J Comput Chem. 2002 Jan 30;23(2):291-7. doi: 10.1002/jcc.10006. J Comput Chem. 2002. PMID: 11924741

3

2-[(R-phenyl)amine]-1,4-naphthalendiones as photosystem I electron acceptors: structure-activity relationship of m- and p-PAN compounds with QSAR analysis.

King-Díaz B, Macías-Ruvalcaba NA, Aguilar-Martínez M, Calaminici P, Köster AM, Gómez-Sandoval Z, Reveles JU, Lotina-Hennsen B. King-Díaz B, et al. Among authors: calaminici p. J Photochem Photobiol B. 2006 May 1;83(2):105-13. doi: 10.1016/j.jphotobiol.2005.11.012. Epub 2006 Feb 2. J Photochem Photobiol B. 2006. PMID: 16458013

4

Can an eight π-electron bare ring be planar?

Martinez-Guajardo G, Gómez-Saldoval Z, Jana DF, Calaminici P, Corminboeuf C, Merino G. Martinez-Guajardo G, et al. Among authors: calaminici p. Phys Chem Chem Phys. 2011 Dec 14;13(46):20615-9. doi: 10.1039/c1cp22415h. Epub 2011 Sep 9. Phys Chem Chem Phys. 2011. PMID: 21904767

5

Structural changes of Pd13 upon charging and oxidation/reduction.

Reveles JU, Köster AM, Calaminici P, Khanna SN. Reveles JU, et al. Among authors: calaminici p. J Chem Phys. 2012 Mar 21;136(11):114505. doi: 10.1063/1.3692612. J Chem Phys. 2012. PMID: 22443775 Free article.

6

Ion-induced atomic-like LMM and L2MM Auger-electron emission from Mg, Al, Si, and MgxAl1-x: Role of symmetric and asymmetric collisions.

Xu F, Ascione F, Mandarino N, Zoccali P, Calaminici P, Oliva A, Bonanno A, Russo N. Xu F, et al. Among authors: calaminici p. Phys Rev B Condens Matter. 1993 Oct 1;48(14):9987-9994. doi: 10.1103/physrevb.48.9987. Phys Rev B Condens Matter. 1993. PMID: 10007271 No abstract available.

7

Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study.

Goursot A, Mineva T, Vásquez-Pérez JM, Calaminici P, Köster AM, Salahub DR. Goursot A, et al. Among authors: calaminici p. Phys Chem Chem Phys. 2013 Jan 21;15(3):860-7. doi: 10.1039/c2cp43514d. Phys Chem Chem Phys. 2013. PMID: 23202583

8

Nature of valence transition and spin moment in Ag(n)V(+) clusters.

Medel VM, Reber AC, Chauhan V, Sen P, Köster AM, Calaminici P, Khanna SN. Medel VM, et al. Among authors: calaminici p. J Am Chem Soc. 2014 Jun 11;136(23):8229-36. doi: 10.1021/ja412064c. Epub 2014 May 29. J Am Chem Soc. 2014. PMID: 24824084

9

Parallelization of the deMon2k code.

Geudtner G, Janetzko F, Köster AM, Vela A, Calaminici P. Geudtner G, et al. Among authors: calaminici p. J Comput Chem. 2006 Mar;27(4):483-90. doi: 10.1002/jcc.20361. J Comput Chem. 2006. PMID: 16435308

10

Separation of sigma and pi energies.

Köster AM, Calaminici P, Geudtner G, Gómez-Sandoval Z. Köster AM, et al. Among authors: calaminici p. J Phys Chem A. 2005 Feb 17;109(6):1257-9. doi: 10.1021/jp045636h. J Phys Chem A. 2005. PMID: 16833437

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