López-Tocón, I. : rechercher sur Z-Library

Année:

2005

Langue:

english

Fichier:

PDF, 88 KB

english, 2005

Vibrational predissociation dynamics of the aniline–neon Van der Waals complex: an ab initio study

I López-Tocón, J.C Otero, J Soto, M Becucci, G Pietraperzia, E Castellucci

Journal:

Mariana Sardo, Cristina Ruano, José Luis Castro, Isabel López-Tocón, Paulo J.A. Ribeiro-Claro, Juan C. Otero

Année:

2004

Langue:

english

Fichier:

PDF, 218 KB

english, 2004

Surface enhanced Raman scattering of trans-3-hydroxycinnamic acid adsorbed on silver nanoparticles

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 440 KB

english, 2008

Assignment of the vibrational spectrum of trimethylpyrazine

S.P. Centeno, I. López-Tocón, J.F. Arenas, J.C. Otero

Journal:

J. Manuel López-Romero, Rodrigo Rico, Rocío Martínez-Mallorquín, Jesús Hierrezuelo, Elena Guillén, Chengzhi Cai, J. Carlos Otero, Isabel López-Tocón

Année:

2007

Langue:

english

Fichier:

PDF, 257 KB

english, 2007

Synthesis of penta-p-phenylenes with oligo(ethylene glycol) side chains

Journal:

Tetrahedron Letters

Année:

2007

Langue:

english

Fichier:

PDF, 282 KB

english, 2007

NH2 inversion potential in the S0 and S1 electronic states of aniline: fit to the (ro-)vibrational data and comparison with ab initio and density functional results

Isabel López-Tocón, Raffaele Guido Della Valle, Maurizio Becucci, Emilio Castellucci, Juan Carlos Otero

Journal:

Giangaetano Pietraperzia, Maurizio Becucci, Ivan Del Pace, Isabel López-Tocón, Emilio Castellucci

Année:

2000

Langue:

english

Fichier:

PDF, 108 KB

english, 2000

Rotationally resolved electronic spectroscopy of aniline excited vibronic levels

Journal:

Isabel López-Tocón, Silvia P. Centeno, José Luis Castro, M.Rosa López-Ramı́rez, Juan Carlos Otero

Année:

2001

Langue:

english

Fichier:

PDF, 176 KB

english, 2001

Photoinduced charge transfer processes in the surface-enhanced Raman scattering of 2,4,6-trimethylpyridine recorded on silver electrode

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 203 KB

english, 2003

Selection rules for the charge transfer enhancement mechanism in SERS: dependence of the intensities on the L-matrix

I López-Tocón, S.P Centeno, J.C Otero, J.I Marcos

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 71 KB

english, 2001

Vibrational spectrum of 4-fluoraniline

I López-Tocón, M Becucci, G Pietraperzia, E Castellucci, J.C Otero

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2001

Langue:

english

Fichier:

PDF, 87 KB

english, 2001

DFT and CASPT2 study of two thermal reactions of nitromethane: C–N bond cleavage and nitro-to-nitrite isomerization. An example of the inverse symmetry breaking deficiency in density functional calculations of an homolytic dissociation

J.F Arenas, S.P Centeno, I López-Tocón, D Peláez, J Soto

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 243 KB

english, 2003

The aniline–argon van der Waals complex: ab initio second-order Møller–Plesset study of the potential energy surface in the ground electronic state

I. López-Tocón, J.C. Otero, M. Becucci, G. Pietraperzia, E. Castellucci

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 129 KB

english, 1999

How a resonant charge transfer mechanism determines the relative intensities in the SERS spectra of 4-methylpyridine

J.F Arenas, I López-Tocón, S.P Centeno, J Soto, J.C Otero

Journal:

Vibrational Spectroscopy

Année:

2002

Langue:

english

Fichier:

PDF, 116 KB

english, 2002

The aniline–water and aniline–methanol complexes in the S1 excited state

G. Piani, M. Pasquini, I. López-Tocón, G. Pietraperzia, M. Becucci, E. Castellucci

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 325 KB

english, 2006

Surface-enhanced Raman scattering of 2,3-dimethylpyrazine adsorbed on silver electrode: selective enhancement explained through the charge transfer mechanism

J.F Arenas, S.P Centeno, I López-Tocón, J.C Otero

Journal:

Vibrational Spectroscopy

Année:

2004

Langue:

english

Fichier:

PDF, 137 KB

english, 2004

Potential coupling of intramolecular to intermolecular modes: an ab initio study of the amino inversion and van der Waals motions in the aniline–argon complex

I López-Tocón, J.C Otero, M Becucci, G Pietraperzia, E Castellucci, Ph Bréchignac

Journal:

Arenas, Juan F., Fernández, David J., Soto, Juan, López-Tocón, Isabel, Otero, Juan C.

Année:

2001

Langue:

english

Fichier:

PDF, 123 KB

english, 2001

Role of the Electrode Potential in the Charge-Transfer Mechanism of Surface-Enhanced Raman Scattering

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 109 KB

english, 2003

Surface-enhanced Raman scattering of 5-fluorouracil adsorbed on silver nanostructures

Sardo, Mariana, Ruano, Cristina, Castro, José Luis, López-Tocón, Isabel, Soto, Juan, Ribeiro-Claro, Paulo, Otero, Juan Carlos

Journal:

Arenas, Juan F., López-Tocón, Isabel, Otero, Juan C., Soto, Juan

Année:

2009

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2009

Carbene Formation in Its Lower Singlet State from Photoexcited 3 H -Diazirine or Diazomethane. A Combined CASPT2 and ab Initio Direct Dynamics Trajectory Study

Journal:

Journal of the American Chemical Society

Année:

2002

Langue:

english

Fichier:

PDF, 136 KB

english, 2002

Selection Rules of the Charge Transfer Mechanism of Surface-Enhanced Raman Scattering: The Effect of the Adsorption on the Relative Intensities of Pyrimidine Bonded to Silver Nanoclusters

Centeno, Silvia P., López-Tocón, Isabel, Arenas, Juan F., Soto, Juan, Otero, Juan C.

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 108 KB

english, 2006

Inversion Motion and S 1 Equilibrium Geometry of 4-Fluoroaniline: Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations

Becucci, M., Castellucci, E., López-Tocón, I., Pietraperzia, G., Salvi, P. R., Caminati, W.

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 72 KB

english, 1999

Raman Study of the Rigidity of Penta- p -phenylene Derivatives Used as Legs in Molecular Tripods

López-Tocón, Isabel, Peláez, Daniel, Soto, Juan, Rico, Rodrigo, Cai, Chengzhi, López-Romero, Juan M., Otero, Juan C.

Journal:

Journal of Physical Chemistry B

Année:

2008

Langue:

english

Fichier:

PDF, 356 KB

english, 2008

Franck–Condon Dominates the Surface-Enhanced Raman Scattering of 3-Methylpyridine: Propensity Rules of the Charge-Transfer Mechanism under Reduced Symmetry

Centeno, Silvia P., López-Tocón, Isabel, Roman-Perez, Jessica, Arenas, Juan F., Soto, Juan, Otero, Juan C.

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 911 KB

english, 2012

Huge Energy Gain in Metal-to-Molecule Charge Transfer Processes: A Combined Effect of an Electrical Capacitive Enhancement in Nanometer-Size Hot Spots and the Electronic Structure of the Surface Complex

Roman-Perez, Jessica, Ruano, Cristina, Centeno, Silvia P., López-Tocón, Isabel, Arenas, Juan F., Soto, Juan, Otero, Juan C.

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2014

How the electrode potential controls the selection rules of the charge transfer mechanism of SERS

Avila, Francisco, Ruano, Cristina, Lopez-Tocon, Isabel, Arenas, Juan F., Soto, Juan, Otero, Juan C.

Journal:

Chemical Communications

Année:

2011

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2011

Large amplitude motions in the electronic ground state of 4-fluoroaniline

Favero, L. B., Moreschini, P., Caminati, W., Becucci, M., López-Tocón, I., Pietraperzia, G.

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 110 KB

english, 2000

The electronic structure of metal–molecule hybrids in charged interfaces: surface-enhanced Raman selection rules derived from plasmon-like resonances

Román-Pérez, J., López-Tocón, I., Castro, J. L., Arenas, J. F., Soto, J., Otero, J. C.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2015

On the dual character of charged metal–molecule hybrids and the opposite behaviour of the forward and reverse CT processes

Roman-Perez, J., Centeno, S. P., López-Ramírez, M. R., Arenas, J. F., Soto, J., López-Tocón, I., Otero, J. C.

Journal:

Furini, Leonardo Negri, Sanchez-Cortes, Santiago, López-Tocón, Isabel, Otero, Juan Carlos, Aroca, Ricardo F., Constantino, Carlos José Leopoldo

Année:

2014

Langue:

english

Fichier:

PDF, 1.75 MB

english, 2014

Detection and quantitative analysis of carbendazim herbicide on Ag nanoparticles via surface-enhanced Raman scattering

Journal:

Journal of Raman Spectroscopy

Année:

2015

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2015

An approach to the electronic structure of molecular junctions with metal clusters of atomic thickness

Aranda, Daniel, Lopez-Tocon, Isabel, Soto, Juan, Otero, Juan C., Avila, Francisco José

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2016

Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential” by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19 , 7833

Aranda, D., Román-Pérez, J., López-Tocón, I., Soto, J., Avila, F., Otero, J. C.

Journal:

Soto, Juan, Aranda, Daniel, Lopez-Tocon, Isabel, Avila, Francisco José, Arenas, Juan Francisco, Otero, Juan C.

Année:

2017

Langue:

english

Fichier:

PDF, 2.58 MB

english, 2017

An MS-CASPT2 Study of the Photodecomposition of 4-Methoxyphenyl Azide: Role of Internal Conversion and Intersystem Crossing

Journal: