Publications

Publications with the same journal as the Successes and failures of DFT functionals in acid/base and redox reactions of organic and biochemical interest publication

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Article in International Scientific Journal

Unveiling the potential of graphene and graphyne electrodes in lithium-ion batteries: A DFT modeling approach

Dias, RE (Author) (Other); Magalhaes, AL (Author) (FCUP)

2024

Indexing

Theoretical analysis of the color tuning mechanism of oxyluciferin and 5-hydroxyoxyluciferin

Luis Pinto da Silva (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP)

2012

Scientific classification Indexing

Gas-phase molecular structure and energetics of UVB filter 4-methylbenzylidene camphor: A computational study

Paulo J O Ferreira (Author) (Other); Luis Pinto da Silva (Author) (Other); Margarida S Miranda (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP)

2014

Scientific classification Indexing

Development of firefly oxyluciferin derivatives as pH sensitive fluorescent Probes: A DFT/TDDFT study

Min, CG (Author) (Other); Liu, QB (Author) (Other); Leng, Y (Author) (Other); Huang, SJ (Author) (Other); Liu, CX (Author) (Other); Yang, XK (Author) (Other); Ren, AM (Author) (Other); da Silva, LP (Author) (FCUP)

2018

Indexing

Aza-Diels-Alder addition of cyclopentadiene to propynyliminoglyoxylates

Filipe Teixeira (Author) (Other); Andre Melo (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP)

2013

Scientific classification Indexing

A computational study of the structure, aromaticity and enthalpy of formation of UVA filter 4-tert-butyl-4 '-methoxydibenzoylmethane

Paulo J O Ferreira (Author) (Other); Luis Pinto da Silva (Author) (Other); Dario J R Duarte (Author) (Other); Margarida S Miranda (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP)

2014

Scientific classification Indexing

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