FMDUP - Publications with the same journal as the The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study 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

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

Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles

Jose L C Fajin (Author) (FCUP); Albert Bruix (Author) (Other); Maria Natalia D S Cordeiro (Author) (FCUP); Jose R B Gomes (Author) (Other); Francesc Illas (Author) (Other)

2012

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 with the same journal as the The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study publication

Another Publication in an International Scientific Journal

Article in International Scientific Journal