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1.
Constructing organic superacids from superhalogens is a rational route as verified by DFT calculations.
Phys Chem Chem Phys
; 21(5): 2804-2815, 2019 Jan 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-30667421
2.
Why do higher VDEs of superhalogen not ensure improved stabilities of the noble gas hydrides promoted by them? A high-level ab initio case study.
J Chem Phys
; 149(6): 064301, 2018 Aug 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-30111124
3.
The Combination of Superhalogens and Brønsted Acids HX (X = F, Cl, Br): An Effective Strategy for Designing Strong Superacids.
Inorg Chem
; 56(19): 11787-11797, 2017 Oct 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-28891635
4.
Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]- (L = -OH, -OOH and -OF) anions.
Phys Chem Chem Phys
; 19(39): 26986-26995, 2017 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-28956570
5.
Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batteries: a theoretical prospect from combined ab initio and DFT studies.
Phys Chem Chem Phys
; 18(41): 28576-28584, 2016 Oct 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-27711649
6.
Could the description on polynuclear superhalogens by DFT be comparable with high-level ab initio results? A comparison between DFT and CCSD(T).
J Chem Phys
; 144(5): 054303, 2016 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-26851917
7.
Combining proton and silaborane-based superhalogen anions - an effective route to new superacids as verified via systematic DFT calculations.
Dalton Trans
; 48(43): 16184-16198, 2019 Nov 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31596294
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