Czakó G - Search Results

1

S_N2 Reactions with an Ambident Nucleophile: A Benchmark Ab Initio Study of the CN^- + CH₃Y [Y = F, Cl, Br, and I] Systems.

Kerekes Z, Tasi DA, Czakó G. Kerekes Z, et al. Among authors: czako g. J Phys Chem A. 2022 Feb 17;126(6):889-900. doi: 10.1021/acs.jpca.1c10448. Epub 2022 Feb 2. J Phys Chem A. 2022. PMID: 35107284 Free PMC article.

2

On the choice of the ab initio level of theory for potential energy surface developments.

Czakó G, Szabó I, Telekes H. Czakó G, et al. J Phys Chem A. 2014 Jan 23;118(3):646-54. doi: 10.1021/jp411652u. Epub 2014 Jan 8. J Phys Chem A. 2014. PMID: 24377787

3

Reaction dynamics of methane with F, O, Cl, and Br on ab initio potential energy surfaces.

Czakó G, Bowman JM. Czakó G, et al. J Phys Chem A. 2014 Apr 24;118(16):2839-64. doi: 10.1021/jp500085h. Epub 2014 Mar 19. J Phys Chem A. 2014. PMID: 24597939

4

Surprising quenching of the spin-orbit interaction significantly diminishes H2O···X [X = F, Cl, Br, I] dissociation energies.

Czakó G, Császár AG, Schaefer HF 3rd. Czakó G, et al. J Phys Chem A. 2014 Dec 26;118(51):11956-61. doi: 10.1021/jp506287z. Epub 2014 Aug 22. J Phys Chem A. 2014. PMID: 25133702

5

Double-inversion mechanisms of the X⁻ + CH₃Y [X,Y = F, Cl, Br, I] SN2 reactions.

Szabó I, Czakó G. Szabó I, et al. Among authors: czako g. J Phys Chem A. 2015 Mar 26;119(12):3134-40. doi: 10.1021/acs.jpca.5b00988. Epub 2015 Mar 13. J Phys Chem A. 2015. PMID: 25746441

6

Rotational Mode Specificity in the F(-) + CH3Y [Y = F and Cl] SN2 Reactions.

Szabó I, Czakó G. Szabó I, et al. Among authors: czako g. J Phys Chem A. 2015 Dec 17;119(50):12231-7. doi: 10.1021/acs.jpca.5b06212. Epub 2015 Aug 21. J Phys Chem A. 2015. PMID: 26259068

7

Mode-Specific SN2 Reaction Dynamics.

Wang Y, Song H, Szabó I, Czakó G, Guo H, Yang M. Wang Y, et al. Among authors: czako g. J Phys Chem Lett. 2016 Sep 1;7(17):3322-7. doi: 10.1021/acs.jpclett.6b01457. Epub 2016 Aug 12. J Phys Chem Lett. 2016. PMID: 27505286

8

Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F^- + CH₃CH₂Cl Reaction.

Tajti V, Czakó G. Tajti V, et al. Among authors: czako g. J Phys Chem A. 2017 Apr 13;121(14):2847-2854. doi: 10.1021/acs.jpca.7b01572. Epub 2017 Apr 3. J Phys Chem A. 2017. PMID: 28338332

9

High-level ab initio potential energy surface and dynamics of the F^- + CH₃I S_N2 and proton-transfer reactions.

Olasz B, Szabó I, Czakó G. Olasz B, et al. Among authors: czako g. Chem Sci. 2017 Apr 1;8(4):3164-3170. doi: 10.1039/c7sc00033b. Epub 2017 Feb 17. Chem Sci. 2017. PMID: 28507692 Free PMC article.

10

Deciphering Front-Side Complex Formation in S_N2 Reactions via Dynamics Mapping.

Szabó I, Olasz B, Czakó G. Szabó I, et al. Among authors: czako g. J Phys Chem Lett. 2017 Jul 6;8(13):2917-2923. doi: 10.1021/acs.jpclett.7b01253. Epub 2017 Jun 14. J Phys Chem Lett. 2017. PMID: 28598635

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

130 results

Search Page

Filters