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1.
First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent.
J Chem Phys
; 154(4): 044106, 2021 Jan 28.
Artículo
Inglés
| MEDLINE | ID: mdl-33514105
2.
Tuned range separated hybrid functionals for solvated low bandgap oligomers.
J Chem Phys
; 143(3): 034101, 2015 Jul 21.
Artículo
Inglés
| MEDLINE | ID: mdl-26203008
3.
Charge-transfer excitations in low-gap systems under the influence of solvation and conformational disorder: exploring range-separation tuning.
J Chem Phys
; 141(8): 084303, 2014 Aug 28.
Artículo
Inglés
| MEDLINE | ID: mdl-25173010
4.
Gold nanochannels oxidation by confined water.
RSC Adv
; 10(61): 36980-36987, 2020 Oct 07.
Artículo
Inglés
| MEDLINE | ID: mdl-35521283
5.
Controlling the Activation Energy for Single-Ion Diffusion through a Hybrid Polyelectrolyte Matrix by Manipulating the Central Coordinate Semimetal Atom.
J Phys Chem Lett
; 10(24): 7684-7689, 2019 Dec 19.
Artículo
Inglés
| MEDLINE | ID: mdl-31763844
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