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The Journal of Chemical Physics|October 22, 2025
Optical and excited state properties of Au30(S-Adm)18 and Au38S2(S-Adm)20 nanoclusters: Accuracy from TD-DFT and TDDFT + TB approachesDinesh Acharya, Hao Liang, Alvaro Muñoz-Castro, et al.
Molecules (Basel, Switzerland)|February 9, 2018
Antibacterial Activities of Azole Complexes Combined with Silver NanoparticlesNestor J Bello-Vieda, Homero F Pastrana, Manuel F Garavito, et al.
ACS Omega|May 5, 2025
Ionic Recognition Controlled by Conformational Change: A DFT InvestigationRenato P Orenha, Ana L O Andrade, Renato G Rocha, et al.
Dalton Transactions (Cambridge, England : 2003)|November 20, 2020
The usefulness of energy decomposition schemes to rationalize host-guest interactionsGiovanni F Caramori, Ina Østrøm, Alexandre O Ortolan, et al.
Dalton Transactions (Cambridge, England : 2003)|November 15, 2012
Evaluation of arene ruthenium(II) N-heterocyclic carbene complexes as organometallics interacting with thiol and selenol containing biomoleculesLuciano Oehninger, Maria Stefanopoulou, Hamed Alborzinia, et al.
Inorganic Chemistry|June 5, 2024
Conflicting Aromaticity in Trirhodium(I) RosarinSonglin Xue, Nikolay V Tkachenko, Fan Wu, et al.
Physical Chemistry Chemical Physics : PCCP|October 16, 2020
The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculationsRenato Pereira Orenha, Glaucio Régis Nagurniak, Matheus Cachoeira Colaço, et al.
BMC Chemistry|October 10, 2023
Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activityRicardo A Murcia-Galán, Sandra M Durán, Sandra M Leal-Pinto, et al.
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