Andrada DM - Search Results

1

Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach.

Gimferrer M, Danés S, Andrada DM, Salvador P. Gimferrer M, et al. Among authors: andrada dm. J Chem Theory Comput. 2023 Jun 27;19(12):3469-3485. doi: 10.1021/acs.jctc.3c00143. Epub 2023 May 29. J Chem Theory Comput. 2023. PMID: 37246911 Free PMC article.

2

Effects of metal coordination on the π-system of the 2,5-bis-{(pyrrolidino)-methyl}-pyrrole pincer ligand.

Maaß C, Andrada DM, Mata RA, Herbst-Irmer R, Stalke D. Maaß C, et al. Among authors: andrada dm. Inorg Chem. 2013 Aug 19;52(16):9539-48. doi: 10.1021/ic401192x. Epub 2013 Jul 31. Inorg Chem. 2013. PMID: 23902578

3

Acyclic germylones: congeners of allenes with a central germanium atom.

Li Y, Mondal KC, Roesky HW, Zhu H, Stollberg P, Herbst-Irmer R, Stalke D, Andrada DM. Li Y, et al. Among authors: andrada dm. J Am Chem Soc. 2013 Aug 21;135(33):12422-8. doi: 10.1021/ja406112u. Epub 2013 Aug 7. J Am Chem Soc. 2013. PMID: 23869553

4

Facile access to silyl-functionalized N-heterocyclic olefins with HSiCl3.

Ghadwal RS, Reichmann SO, Engelhardt F, Andrada DM, Frenking G. Ghadwal RS, et al. Among authors: andrada dm. Chem Commun (Camb). 2013 Oct 21;49(82):9440-2. doi: 10.1039/c3cc45652h. Chem Commun (Camb). 2013. PMID: 24005446

5

Mechanism of the aminolysis of Fischer alkoxy and thiocarbene complexes: a DFT study.

Andrada DM, Jimenez-Halla JO, Solà M. Andrada DM, et al. J Org Chem. 2010 Sep 3;75(17):5821-36. doi: 10.1021/jo100738x. J Org Chem. 2010. PMID: 20704176

6

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. Among authors: andrada dm. 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.

7

Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?

Andrada DM , Foroutan-Nejad C . Andrada DM , et al. Phys Chem Chem Phys. 2020 Oct 15;22(39):22459-22464. doi: 10.1039/d0cp04016a. Phys Chem Chem Phys. 2020. PMID: 32996940

8

Metalloradical Cations and Dications Based on Divinyldiphosphene and Divinyldiarsene Ligands.

Sharma MK, Rottschäfer D, Neumann B, Stammler HG, Danés S, Andrada DM, van Gastel M, Hinz A, Ghadwal RS. Sharma MK, et al. Among authors: andrada dm. Chemistry. 2021 Mar 26;27(18):5803-5809. doi: 10.1002/chem.202100213. Epub 2021 Mar 3. Chemistry. 2021. PMID: 33470468 Free PMC article.

9

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: andrada dm. 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.

10

Path-dependency of energy decomposition analysis & the elusive nature of bonding.

Poater J, Andrada DM, Solà M, Foroutan-Nejad C. Poater J, et al. Among authors: andrada dm. Phys Chem Chem Phys. 2022 Jan 26;24(4):2344-2348. doi: 10.1039/d1cp04135e. Phys Chem Chem Phys. 2022. PMID: 35018916 Free PMC article.

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