FDUP - Publications with the same journal as the Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles publication

Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)]

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

2011

Scientific classification Indexing

Vapor pressures of 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with long alkyl chains

Marisa A A Rocha (Author) (Other); Joao A P Coutinho (Author) (Other); Luis M N B F Santos (Author) (FCUP)

2014

Scientific classification Indexing

The reduction of NO on Pt(100) by H2 and CO studied with synchrotron x-ray photoelectron spectroscopy

Rienks, EDL (Author) (Other); Bakker, JW (Author) (Other); Baraldi, A (Author) (Other); Sónia Carabineiro (Author) (Other); Lizzit, S (Author) (Other); Weststrate, CJ (Author) (Other); Nieuwenhuys, BE (Author) (Other)

2003

Indexing

The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study

Marta Araujo (Author) (Other); Benjamin Lasorne (Author) (Other); Alexandre L Magalhaes (Author) (FCUP); Graham A Worth (Author) (Other); Michael J Bearpark (Author) (Other); Michael A Robb (Author) (Other)

2009

Scientific classification Indexing

Striped gold nanoparticles: New insights from molecular dynamics simulations

Velachi, V (Author) (Other); Bhandary, D (Author) (Other); Singh, JK (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2016

Indexing

Singlet and triplet energies of alpha-oligothiophenes: A spectroscopic, theoretical, and photoacoustic study: Extrapolation to polythiophene

de Melo, JS (Author) (Other); da Silva, LFM (Author) (FEUP); Arnaut, LG (Author) (Other); Becker, RS (Author) (Other)

1999

Indexing

Response to comment on ‘Uncertainties in scaling factors for ab initio vibrational zero-point energies and Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional [J. Chem. Phys. 134, 167101 (2011)]’

Filipe Teixeira (Author) (FCUP); André Melo (Author) (FCUP); M. Natália D. S. Cordeiro (Author) (FCUP)

2011

Scientific classification Indexing

PATH-INTEGRAL MONTE-CARLO SIMULATIONS - STUDY OF THE EFFICIENCY OF ENERGY ESTIMATORS

FERNANDES, PA (Author) (Other); CARVALHO, AP (Author) (Other); RAMALHO, JPP (Author) (Other)

1995

Scientific classification Indexing

Molecular dynamic study of alcohol-based deep eutectic solvents

Ferreira, ESC (Author) (Other); Voroshylova, IV (Author) (FCUP); Figueiredo, NM (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2021

Indexing

Evidence of nanostructuration from the heat capacities of the 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid series

Marisa A A Rocha (Author) (Other); Joao A P Coutinho (Author) (Other); Luis M N B F Santos (Author) (FCUP)

2013

Scientific classification Indexing

Calibration sets and the accuracy of vibrational scaling factors: case study with the X3LYP hybrid functional

Filipe Teixeira (Author) (FCUP); André Melo (Author) (FCUP); M. Natália D. S. Cordeiro (Author) (FCUP)

2010

Scientific classification

Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional

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

2010

Scientific classification Indexing

A direct classical trajectory study of the acetone photodissociation on the triplet surface

Martinez Nunez, E (Author) (Other); Fernandez Ramos, A (Author) (Other); Cordeiro, MNDS (Author) (FCUP); Vazquez, SA (Author) (Other); Aoiz, FJ (Author) (Other); Banares, L (Author) (Other)

2003

Scientific classification Indexing

A DFT study of the NO dissociation on gold surfaces doped with transition metals

Jose L C Fajin (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP); Jose R B Gomes (Author) (Other)

2013

Scientific classification Indexing

Publications

Publications with the same journal as the Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles publication

Another Publication in an International Scientific Journal

Article in International Scientific Journal