Cavazzoni C - Search Results

1

High-pressure dissociation of crystalline para-diiodobenzene: optical experiments and Car-Parrinello calculations.

Brillante A, Della Valle RG, Farina L, Venuti E, Cavazzoni C, Emerson AP, Syassen K. Brillante A, et al. Among authors: cavazzoni c. J Am Chem Soc. 2005 Mar 9;127(9):3038-43. doi: 10.1021/ja0432416. J Am Chem Soc. 2005. PMID: 15740142

2

Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations.

Pagliai M, Cavazzoni C, Cardini G, Erbacci G, Parrinello M, Schettino V. Pagliai M, et al. Among authors: cavazzoni c. J Chem Phys. 2008 Jun 14;128(22):224514. doi: 10.1063/1.2936988. J Chem Phys. 2008. PMID: 18554036

3

Hydroxyl-rich beta-sheet adhesion to the gold surface in water by first-principle simulations.

Calzolari A, Cicero G, Cavazzoni C, Di Felice R, Catellani A, Corni S. Calzolari A, et al. Among authors: cavazzoni c. J Am Chem Soc. 2010 Apr 7;132(13):4790-5. doi: 10.1021/ja909823n. J Am Chem Soc. 2010. PMID: 20225820

4

Acidification of three-dimensional emeraldine polymers: Search for minimum energy paths from base to salt.

Cavazzoni C, Colle R, Farchioni R, Grosso G. Cavazzoni C, et al. J Chem Phys. 2008 Jun 21;128(23):234903. doi: 10.1063/1.2931573. J Chem Phys. 2008. PMID: 18570524

5

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data.

Colle R, Parruccini P, Benassi A, Cavazzoni C. Colle R, et al. Among authors: cavazzoni c. J Phys Chem B. 2007 Mar 22;111(11):2800-5. doi: 10.1021/jp067847n. Epub 2007 Mar 1. J Phys Chem B. 2007. PMID: 17388438

6

Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.

Beato C, Beccari AR, Cavazzoni C, Lorenzi S, Costantino G. Beato C, et al. Among authors: cavazzoni c. J Chem Inf Model. 2013 Jun 24;53(6):1503-17. doi: 10.1021/ci400079k. Epub 2013 Apr 30. J Chem Inf Model. 2013. PMID: 23590204

7

Superionic and metallic states of water and ammonia at giant planet conditions.

Cavazzoni C, Chiarotti GL, Scandolo S, Tosatti E, Bernasconi M, Parrinello M. Cavazzoni C, et al. Science. 1999 Jan 1;283(5398):44-6. doi: 10.1126/science.283.5398.44. Science. 1999. PMID: 9872734

8

Electronic and transport properties of artificial gold chains.

Calzolari A, Cavazzoni C, Buongiorno Nardelli M. Calzolari A, et al. Among authors: cavazzoni c. Phys Rev Lett. 2004 Aug 27;93(9):096404. doi: 10.1103/PhysRevLett.93.096404. Epub 2004 Aug 27. Phys Rev Lett. 2004. PMID: 15447121 Free article.

9

Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy.

Shapir E, Cohen H, Calzolari A, Cavazzoni C, Ryndyk DA, Cuniberti G, Kotlyar A, Di Felice R, Porath D. Shapir E, et al. Among authors: cavazzoni c. Nat Mater. 2008 Jan;7(1):68-74. doi: 10.1038/nmat2060. Epub 2007 Nov 25. Nat Mater. 2008. PMID: 18037894

10

Quantum ESPRESSO toward the exascale.

Giannozzi P, Baseggio O, Bonfà P, Brunato D, Car R, Carnimeo I, Cavazzoni C, de Gironcoli S, Delugas P, Ferrari Ruffino F, Ferretti A, Marzari N, Timrov I, Urru A, Baroni S. Giannozzi P, et al. Among authors: cavazzoni c. J Chem Phys. 2020 Apr 21;152(15):154105. doi: 10.1063/5.0005082. J Chem Phys. 2020. PMID: 32321275

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