Puzzarini C - Search Results

1

Exploiting the "Lego brick" approach to predict accurate molecular structures of PAHs and PANHs.

Ye H, Alessandrini S, Melosso M, Puzzarini C. Ye H, et al. Among authors: puzzarini c. Phys Chem Chem Phys. 2022 Oct 5;24(38):23254-23264. doi: 10.1039/d2cp03294e. Phys Chem Chem Phys. 2022. PMID: 36149341

2

Laboratory astrochemistry of the gas phase: general discussion.

Balucani N, Brann M, Brünken S, Ceccarelli C, Cordiner M, Crump EM, Douglas KM, Fleisher AJ, Flint A, Fulker J, Garrod RT, Gudipati MS, Gupta D, Halpern J, Heard DE, Herbst E, Hockey EK, Huang KY, Jacovella U, Kamp I, Lemmens AK, Madhusudhan N, McCoustra MRS, McGuire B, Meijer A, Puzzarini C, Rap DB, Sims IR, Stockett MH, Sturm A, Suits AG, van Dishoeck EF, Viti S, Walker N, Widicus Weaver S, Wiesenfeld L, Wilkins OH. Balucani N, et al. Among authors: puzzarini c. Faraday Discuss. 2023 Sep 20;245(0):391-445. doi: 10.1039/d3fd90025h. Faraday Discuss. 2023. PMID: 37671500 No abstract available.

3

Rotational spectra of 1-chloro-2-fluoroethylene. II. Equilibrium structures of the cis and trans isomer.

Puzzarini C, Cazzoli G, Gambi A, Gauss J. Puzzarini C, et al. J Chem Phys. 2006 Aug 7;125(5):054307. doi: 10.1063/1.2220041. J Chem Phys. 2006. PMID: 16942213

4

Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F(2)CN and F(2)BO case.

Puzzarini C, Barone V. Puzzarini C, et al. Phys Chem Chem Phys. 2008 Dec 14;10(46):6991-7. doi: 10.1039/b813145g. Epub 2008 Oct 14. Phys Chem Chem Phys. 2008. PMID: 19030595

5

On the stability of X2NO radicals (X = F, Cl, Br, I).

Puzzarini C, Barone V. Puzzarini C, et al. Phys Chem Chem Phys. 2009 Dec 28;11(48):11463-70. doi: 10.1039/b917446j. Epub 2009 Oct 21. Phys Chem Chem Phys. 2009. PMID: 20024417

6

Toward spectroscopic accuracy for open-shell systems: molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases.

Puzzarini C, Barone V. Puzzarini C, et al. J Chem Phys. 2010 Nov 14;133(18):184301. doi: 10.1063/1.3503763. J Chem Phys. 2010. PMID: 21073217

7

Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil.

Puzzarini C, Barone V. Puzzarini C, et al. Phys Chem Chem Phys. 2011 Apr 21;13(15):7189-97. doi: 10.1039/c0cp02636k. Epub 2011 Mar 16. Phys Chem Chem Phys. 2011. PMID: 21409277

8

Accurate thermochemistry and spectroscopy of the oxygen-protonated sulfur dioxide isomers.

Puzzarini C. Puzzarini C. Phys Chem Chem Phys. 2011 Dec 28;13(48):21319-27. doi: 10.1039/c1cp22675d. Epub 2011 Oct 27. Phys Chem Chem Phys. 2011. PMID: 22033629

9

Molecular structure of thiourea.

Puzzarini C. Puzzarini C. J Phys Chem A. 2012 May 3;116(17):4381-7. doi: 10.1021/jp301493b. Epub 2012 Apr 19. J Phys Chem A. 2012. PMID: 22471631

10

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations.

Puzzarini C, Cazzoli G, López JC, Alonso JL, Baldacci A, Baldan A, Stopkowicz S, Cheng L, Gauss J. Puzzarini C, et al. J Chem Phys. 2012 Jul 14;137(2):024310. doi: 10.1063/1.4731284. J Chem Phys. 2012. PMID: 22803539

The present investigation of rare isotopic species of CH(2)FI together with the results previously obtained for the main isotopologue [C. Puzzarini, G. Cazzoli, J. C. Lopez, J. L. Alonso, A. Baldacci, A. ...Phys. 134, 174312 (2011); G. Cazzoli, A. Baldacci, A …

The present investigation of rare isotopic species of CH(2)FI together with the results previously obtained for the main isotopologue [C …

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