FPCEUP - Publicações com a mesma revista da publicação 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)]

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

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

2014

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

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

2003

Indexação

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

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

2009

Classificação Científica Indexação

Striped gold nanoparticles: New insights from molecular dynamics simulations

Velachi, V (Autor) (Outra); Bhandary, D (Autor) (Outra); Singh, JK (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP)

2016

Indexação

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

de Melo, JS (Autor) (Outra); da Silva, LFM (Autor) (FEUP); Arnaut, LG (Autor) (Outra); Becker, RS (Autor) (Outra)

1999

Indexação

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 (Autor) (FCUP); André Melo (Autor) (FCUP); M. Natália D. S. Cordeiro (Autor) (FCUP)

2011

Classificação Científica Indexação

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

FERNANDES, PA (Autor) (Outra); CARVALHO, AP (Autor) (Outra); RAMALHO, JPP (Autor) (Outra)

1995

Classificação Científica Indexação

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

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

2013

Classificação Científica Indexação

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

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

2012

Classificação Científica Indexação

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

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

2010

Classificação Científica

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

Filipe Teixeira (Autor) (Outra); Andre Melo (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP)

2010

Classificação Científica Indexação

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

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

2003

Classificação Científica Indexação

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

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

2013

Classificação Científica Indexação

Artigo em Revista Científica Internacional