Salvador P - Search Results

1

Reply to the 'Comment on "The oxidation state in low-valent beryllium and magnesium compounds"' by S. Pan and G. Frenking, Chem. Sci., 2022, 13, DOI: 10.1039/D2SC04231B.

Gimferrer M, Danés S, Vos E, Yildiz CB, Corral I, Jana A, Salvador P, Andrada DM. Gimferrer M, et al. Among authors: salvador p. Chem Sci. 2022 Dec 15;14(2):384-392. doi: 10.1039/d2sc05769g. eCollection 2023 Jan 4. Chem Sci. 2022. PMID: 36687341 Free PMC article.

2

Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State Analyses.

Skara G, Gimferrer M, De Proft F, Salvador P, Pinter B. Skara G, et al. Among authors: salvador p. Inorg Chem. 2016 Mar 7;55(5):2185-99. doi: 10.1021/acs.inorgchem.5b02543. Epub 2016 Feb 11. Inorg Chem. 2016. PMID: 26866981

3

Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

Gimferrer M, Comas-Vilà G, Salvador P. Gimferrer M, et al. Among authors: salvador p. Molecules. 2020 Jan 6;25(1):234. doi: 10.3390/molecules25010234. Molecules. 2020. PMID: 31935971 Free PMC article.

4

Beyond the Classical Electron-Sharing and Dative Bond Picture: Case of the Spin-Polarized Bond.

Salvador P, Vos E, Corral I, Andrada DM. Salvador P, et al. Angew Chem Int Ed Engl. 2021 Jan 18;60(3):1498-1502. doi: 10.1002/anie.202010948. Epub 2020 Nov 11. Angew Chem Int Ed Engl. 2021. PMID: 32866305 Free PMC article.

5

Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods.

Gimferrer M, Van der Mynsbrugge J, Bell AT, Salvador P, Head-Gordon M. Gimferrer M, et al. Among authors: salvador p. Inorg Chem. 2020 Oct 19;59(20):15410-15420. doi: 10.1021/acs.inorgchem.0c02405. Epub 2020 Oct 8. Inorg Chem. 2020. PMID: 33030893

6

Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes.

Gimferrer M, Danés S, Andrada DM, Salvador P. Gimferrer M, et al. Among authors: salvador p. Inorg Chem. 2021 Dec 6;60(23):17657-17668. doi: 10.1021/acs.inorgchem.1c02252. Epub 2021 Nov 12. Inorg Chem. 2021. PMID: 34766771 Free PMC article.

7

Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index.

Gimferrer M, Aldossary A, Salvador P, Head-Gordon M. Gimferrer M, et al. Among authors: salvador p. J Chem Theory Comput. 2022 Jan 11;18(1):309-322. doi: 10.1021/acs.jctc.1c01011. Epub 2021 Dec 20. J Chem Theory Comput. 2022. PMID: 34929084 Free article.

8

Cage-size effects on the encapsulation of P₂ by fullerenes.

Sabater E, Solà M, Salvador P, Andrada DM. Sabater E, et al. Among authors: salvador p. J Comput Chem. 2023 Jan 30;44(3):268-277. doi: 10.1002/jcc.26884. Epub 2022 May 12. J Comput Chem. 2023. PMID: 35546081

9

The oxidation state in low-valent beryllium and magnesium compounds.

Gimferrer M, Danés S, Vos E, Yildiz CB, Corral I, Jana A, Salvador P, Andrada DM. Gimferrer M, et al. Among authors: salvador p. Chem Sci. 2022 May 9;13(22):6583-6591. doi: 10.1039/d2sc01401g. eCollection 2022 Jun 7. Chem Sci. 2022. PMID: 35756523 Free PMC article.

10

Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions.

Aldossary A, Gimferrer M, Mao Y, Hao H, Das AK, Salvador P, Head-Gordon T, Head-Gordon M. Aldossary A, et al. Among authors: salvador p. J Phys Chem A. 2023 Feb 23;127(7):1760-1774. doi: 10.1021/acs.jpca.2c08061. Epub 2023 Feb 8. J Phys Chem A. 2023. PMID: 36753558 Free article.

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