Ferraro MB - Search Results

1

Crystal Structure Prediction from First Principles: The Crystal Structures of Glycine.

Lund AM, Pagola GI, Orendt AM, Ferraro MB, Facelli JC. Lund AM, et al. Among authors: ferraro mb. Chem Phys Lett. 2015 Apr 17;626:20-24. doi: 10.1016/j.cplett.2015.03.015. Chem Phys Lett. 2015. PMID: 25843964 Free PMC article.

2

Modeling NMR chemical shifts: a comparison of charge models for solid state effects on 15N chemical shift tensors.

Ferraro MB, Repetto V, Facelli JC. Ferraro MB, et al. Solid State Nucl Magn Reson. 1998 Feb;10(4):185-9. doi: 10.1016/s0926-2040(97)00086-6. Solid State Nucl Magn Reson. 1998. PMID: 9603618

3

Calculation of the fourth-rank molecular hypermagnetizability of some small molecules.

Pagola GI, Caputo MC, Ferraro MB, Lazzeretti P. Pagola GI, et al. Among authors: ferraro mb. J Chem Phys. 2004 May 22;120(20):9556-60. doi: 10.1063/1.1695551. J Chem Phys. 2004. PMID: 15267967

4

Modeling solid-state effects on NMR chemical shifts using electrostatic models.

Di Fiori N, Orendt AM, Caputo MC, Ferraro MB, Facelli JC. Di Fiori N, et al. Among authors: ferraro mb. Magn Reson Chem. 2004 Oct;42 Spec no:S41-7. doi: 10.1002/mrc.1432. Magn Reson Chem. 2004. PMID: 15366040

5

Nonlinear response of the benzene molecule to strong magnetic fields.

Pagola GI, Caputo MC, Ferraro MB, Lazzeretti P. Pagola GI, et al. Among authors: ferraro mb. J Chem Phys. 2005 Feb 15;122(7):074318. doi: 10.1063/1.1850099. J Chem Phys. 2005. PMID: 15743243

6

A third blind test of crystal structure prediction.

Day GM, Motherwell WD, Ammon HL, Boerrigter SX, Della Valle RG, Venuti E, Dzyabchenko A, Dunitz JD, Schweizer B, van Eijck BP, Erk P, Facelli JC, Bazterra VE, Ferraro MB, Hofmann DW, Leusen FJ, Liang C, Pantelides CC, Karamertzanis PG, Price SL, Lewis TC, Nowell H, Torrisi A, Scheraga HA, Arnautova YA, Schmidt MU, Verwer P. Day GM, et al. Among authors: ferraro mb. Acta Crystallogr B. 2005 Oct;61(Pt 5):511-27. doi: 10.1107/S0108768105016563. Epub 2005 Sep 23. Acta Crystallogr B. 2005. PMID: 16186652

7

Theoretical study of the adsorption of H on Si n clusters, (n=3-10).

Tiznado W, Oña OB, Bazterra VE, Caputo MC, Facelli JC, Ferraro MB, Fuentealba P. Tiznado W, et al. Among authors: ferraro mb. J Chem Phys. 2005 Dec 1;123(21):214302. doi: 10.1063/1.2128675. J Chem Phys. 2005. PMID: 16356043

8

Calculation of the electric hypershielding at the nuclei of molecules in a strong magnetic field.

Caputo MC, Ferraro MB, Pagola GI, Lazzeretti P. Caputo MC, et al. Among authors: ferraro mb. J Chem Phys. 2007 Apr 21;126(15):154103. doi: 10.1063/1.2716666. J Chem Phys. 2007. PMID: 17461610

9

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules.

Ferraro MB, Caputo MC, Pagola GI, Lazzeretti P. Ferraro MB, et al. J Chem Phys. 2008 Jan 28;128(4):044117. doi: 10.1063/1.2826342. J Chem Phys. 2008. PMID: 18247940

10

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field.

Kim S, Orendt AM, Ferraro MB, Facelli JC. Kim S, et al. Among authors: ferraro mb. J Comput Chem. 2009 Oct;30(13):1973-85. doi: 10.1002/jcc.21189. J Comput Chem. 2009. PMID: 19130496 Free PMC article.

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