Ali ME - Search Results

1

Magnetostructural dynamics of Rieske versus ferredoxin iron-sulfur cofactors.

Ali ME, Staemmler V, Marx D. Ali ME, et al. Phys Chem Chem Phys. 2015 Mar 7;17(9):6289-96. doi: 10.1039/c4cp05465b. Phys Chem Chem Phys. 2015. PMID: 25648433

2

Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactor.

Ali ME, Nair NN, Staemmler V, Marx D. Ali ME, et al. J Chem Phys. 2012 Jun 14;136(22):224101. doi: 10.1063/1.4722552. J Chem Phys. 2012. PMID: 22713030

3

The iron-sulfur core in Rieske proteins is not symmetric.

Ali ME, Nair NN, Retegan M, Neese F, Staemmler V, Marx D. Ali ME, et al. J Biol Inorg Chem. 2014 Dec;19(8):1287-93. doi: 10.1007/s00775-014-1185-7. Epub 2014 Aug 24. J Biol Inorg Chem. 2014. PMID: 25151276

4

Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals.

Ali ME, Staemmler V, Illas F, Oppeneer PM. Ali ME, et al. J Chem Theory Comput. 2013 Dec 10;9(12):5216-20. doi: 10.1021/ct400886w. Epub 2013 Nov 13. J Chem Theory Comput. 2013. PMID: 26592261

5

Influence of solute-solvent hydrogen bonding on intramolecular magnetic exchange interaction in aminoxyl diradicals: a QM/MM broken-symmetry DFT study.

Ali ME, Oppeneer PM, Datta SN. Ali ME, et al. J Phys Chem B. 2009 Apr 23;113(16):5545-8. doi: 10.1021/jp901922j. J Phys Chem B. 2009. PMID: 19331404

6

Electronic structure, spin-states, and spin-crossover reaction of heme-related Fe-porphyrins: a theoretical perspective.

Ali ME, Sanyal B, Oppeneer PM. Ali ME, et al. J Phys Chem B. 2012 May 24;116(20):5849-59. doi: 10.1021/jp3021563. Epub 2012 May 15. J Phys Chem B. 2012. PMID: 22512398

7

Surface-orientation- and ligand-dependent quenching of the spin magnetic moment of Co porphyrins adsorbed on Cu substrates.

Arruda LM , Ali ME , Bernien M , Hatter N , Nickel F , Kipgen L , Hermanns CF , Bißwanger T , Loche P , Heinrich BW , Franke KJ , Oppeneer PM , Kuch W . Arruda LM , et al. Among authors: ali me. Phys Chem Chem Phys. 2020 Jun 14;22(22):12688-12696. doi: 10.1039/d0cp00854k. Epub 2020 May 27. Phys Chem Chem Phys. 2020. PMID: 32458937

8

Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers.

Ali ME, Datta SN. Ali ME, et al. J Phys Chem A. 2006 Sep 14;110(36):10525-7. doi: 10.1021/jp064913c. J Phys Chem A. 2006. PMID: 16956233

9

Unraveling the electronic structure, spin states, optical and vibrational spectra of malaria pigment.

Ali ME, Oppeneer PM. Ali ME, et al. Chemistry. 2015 Jun 1;21(23):8544-53. doi: 10.1002/chem.201406208. Epub 2015 May 1. Chemistry. 2015. PMID: 25933355

10

Theoretical investigation of intramolecular magnetic interaction through an ethylenic coupler.

Vyas S, Ali ME, Hossain E, Patwardhan S, Datta SN. Vyas S, et al. Among authors: ali me. J Phys Chem A. 2005 May 19;109(19):4213-5. doi: 10.1021/jp0510286. J Phys Chem A. 2005. PMID: 16833748

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