Tasinato N - Search Results

1

Dipolar 1,3-cycloaddition of thioformaldehyde S-methylide (CH₂ SCH₂ ) to ethylene and acetylene. A comparison with (valence) isoelectronic O₃ , SO₂ , CH₂ OO and CH₂ SO.

Salta Z, Vega-Teijido M, Katz A, Tasinato N, Barone V, Ventura ON. Salta Z, et al. Among authors: tasinato n. J Comput Chem. 2022 Aug 5;43(21):1420-1433. doi: 10.1002/jcc.26946. Epub 2022 Jun 6. J Comput Chem. 2022. PMID: 35662073

2

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds.

Carnimeo I, Puzzarini C, Tasinato N, Stoppa P, Charmet AP, Biczysko M, Cappelli C, Barone V. Carnimeo I, et al. Among authors: tasinato n. J Chem Phys. 2013 Aug 21;139(7):074310. doi: 10.1063/1.4817401. J Chem Phys. 2013. PMID: 23968095 Free PMC article.

3

Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study.

Spada L, Tasinato N, Vazart F, Barone V, Caminati W, Puzzarini C. Spada L, et al. Among authors: tasinato n. Chemistry. 2017 Apr 6;23(20):4876-4883. doi: 10.1002/chem.201606014. Epub 2017 Mar 21. Chemistry. 2017. PMID: 28186344

4

Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures.

Mendolicchio M, Penocchio E, Licari D, Tasinato N, Barone V. Mendolicchio M, et al. Among authors: tasinato n. J Chem Theory Comput. 2017 Jun 13;13(6):3060-3075. doi: 10.1021/acs.jctc.7b00279. Epub 2017 May 3. J Chem Theory Comput. 2017. PMID: 28437115

5

VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra.

Licari D, Tasinato N, Spada L, Puzzarini C, Barone V. Licari D, et al. Among authors: tasinato n. J Chem Theory Comput. 2017 Sep 12;13(9):4382-4396. doi: 10.1021/acs.jctc.7b00533. Epub 2017 Aug 11. J Chem Theory Comput. 2017. PMID: 28742339 Free PMC article.

6

Correct Modeling of Cisplatin: a Paradigmatic Case.

Tasinato N, Puzzarini C, Barone V. Tasinato N, et al. Angew Chem Int Ed Engl. 2017 Oct 23;56(44):13838-13841. doi: 10.1002/anie.201707683. Epub 2017 Sep 14. Angew Chem Int Ed Engl. 2017. PMID: 28857397 Free PMC article.

7

Structural features of the carbon-sulfur chemical bond: a semi-experimental perspective.

Penocchio E, Mendolicchio M, Tasinato N, Barone V. Penocchio E, et al. Among authors: tasinato n. Can J Chem. 2016 Dec;94(12):1065-1076. doi: 10.1139/cjc-2016-0282. Epub 2016 Jul 28. Can J Chem. 2016. PMID: 28912608 Free PMC article.

8

On the competition between weak O-H···F and C-H···F hydrogen bonds, in cooperation with C-H···O contacts, in the difluoromethane - tert-butyl alcohol cluster.

Spada L, Tasinato N, Bosi G, Vazart F, Barone V, Puzzarini C. Spada L, et al. Among authors: tasinato n. J Mol Spectrosc. 2017 Jul;337:90-95. doi: 10.1016/j.jms.2017.04.001. Epub 2017 Apr 4. J Mol Spectrosc. 2017. PMID: 28919646 Free PMC article.

9

Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches.

Chandramouli B, Del Galdo S, Mancini G, Tasinato N, Barone V. Chandramouli B, et al. Among authors: tasinato n. Biopolymers. 2018 Aug;109(10):e23109. doi: 10.1002/bip.23109. Epub 2018 Mar 9. Biopolymers. 2018. PMID: 29520768 Review.

10

State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: hints on its detection in space.

Puzzarini C , Tasinato N , Bloino J , Spada L , Barone V . Puzzarini C , et al. Among authors: tasinato n. Phys Chem Chem Phys. 2019 Feb 13;21(7):3431-3439. doi: 10.1039/c8cp04629h. Phys Chem Chem Phys. 2019. PMID: 30110028

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