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Items: 14

1.

Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes.

Cazzaniga M, Cargnoni F, Penconi M, Bossi A, Ceresoli D.

J Chem Theory Comput. 2020 Feb 11;16(2):1188-1199. doi: 10.1021/acs.jctc.9b00763. Epub 2020 Jan 6.

PMID:
31860292
2.

Magnetic Moments and Electron Transport through Chromium-Based Antiferromagnetic Nanojunctions.

Bragato M, Achilli S, Cargnoni F, Ceresoli D, Martinazzo R, Soave R, Trioni MI.

Materials (Basel). 2018 Oct 18;11(10). pii: E2030. doi: 10.3390/ma11102030.

3.

Helium-induced electronic transitions in photo-excited Ba+-Hen exciplexes.

Vindel Zandbergen P, Barranco M, Cargnoni F, Drabbels M, Pi M, Halberstadt N.

J Chem Phys. 2018 Apr 14;148(14):144302. doi: 10.1063/1.5022863.

PMID:
29655323
4.

Dynamics of photoexcited Ba(+) cations in (4)He nanodroplets.

Leal A, Zhang X, Barranco M, Cargnoni F, Hernando A, Mateo D, Mella M, Drabbels M, Pi M.

J Chem Phys. 2016 Mar 7;144(9):094302. doi: 10.1063/1.4942850.

PMID:
26957164
5.

Exciplexes with ionic dopants: stability, structure, and experimental relevance of M(+)((2)P)(4)He(n) (M = Sr, Ba).

Mella M, Cargnoni F.

J Phys Chem A. 2014 Aug 21;118(33):6473-83. doi: 10.1021/jp5027306. Epub 2014 Jun 16.

PMID:
24878217
6.

Communication: nucleation of quantized vortex rings in 4He nanodroplets.

Mateo D, Leal A, Hernando A, Barranco M, Pi M, Cargnoni F, Mella M, Zhang X, Drabbels M.

J Chem Phys. 2014 Apr 7;140(13):131101. doi: 10.1063/1.4870245.

PMID:
24712773
7.

Coinage metal exciplexes with helium atoms: a theoretical study of M*(2L)He(n) (M = Cu, Ag, Au; L = P,D).

Cargnoni F, Ponti A, Mella M.

Phys Chem Chem Phys. 2013 Nov 14;15(42):18410-23. doi: 10.1039/c3cp50250c.

PMID:
24072257
8.

Solubility of metal atoms in helium droplets: exploring the effect of the well depth using the coinage metals Cu and Ag.

Cargnoni F, Mella M.

J Phys Chem A. 2011 Jun 30;115(25):7141-52. doi: 10.1021/jp112408d. Epub 2011 Mar 22.

PMID:
21425774
9.

Results and perspectives of the MO-VB method. Application examples on the He2 and the LiH-He complexes.

Cargnoni F, Raimondi M.

Phys Chem Chem Phys. 2010 Apr 28;12(16):4224-32. doi: 10.1039/b921566b. Epub 2010 Mar 4.

PMID:
20379516
10.

Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): a theoretical investigation.

Cargnoni F, Kuś T, Mella M, Bartlett RJ.

J Chem Phys. 2008 Nov 28;129(20):204307. doi: 10.1063/1.3020706.

PMID:
19045864
11.

The electronic structure of nitrilimine: absence of the carbenic form.

Cargnoni F, Molteni G, Cooper DL, Raimondi M, Ponti A.

Chem Commun (Camb). 2006 Mar 7;(9):1030-2. Epub 2006 Jan 24.

PMID:
16491199
12.

Predicting atomic dopant solvation in helium clusters: the MgHe(n) case.

Mella M, Calderoni G, Cargnoni F.

J Chem Phys. 2005 Aug 1;123(5):054328.

PMID:
16108660
13.

Interstitial Zn atoms do the trick in thermoelectric zinc antimonide, Zn4Sb3: a combined maximum entropy method X-ray electron density and ab initio electronic structure study.

Cargnoni F, Nishibori E, Rabiller P, Bertini L, Snyder GJ, Christensen M, Gatti C, Iversen BB.

Chemistry. 2004 Aug 20;10(16):3861-70.

PMID:
15317052
14.

Chemical information from the source function.

Gatti C, Cargnoni F, Bertini L.

J Comput Chem. 2003 Mar;24(4):422-36.

PMID:
12594785

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