J. C. Otero

发表

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

E. Castellucci, J. Soto, G. Pietraperzia, 2004 .

A scaled quantum mechanical force field for tetranitromethane and its intermediates

J. F. Arenas, J. Soto, J. I. Marcos, 1995 .

CASPT2 study of the decomposition of nitrosomethane and its tautomerization reactions in the ground and low-lying excited states.

J. F. Arenas, D. Peláez, J. C. Otero, 2006, The Journal of organic chemistry.

The ground and excited state potential energy surfaces of nitromethane related to its dissociation dynamics after excitation at 193 nm

J. F. Arenas, D. Peláez, J. C. Otero, 2003 .

A Priori Scaled Quantum Mechanical Vibrational Spectra of trans- and cis-Stilbene

J. F. Arenas, J. C. Otero, J. Marcos, 1995 .

A complete active space self-consistent field study of the photochemistry of nitrosamine.

J. F. Arenas, D. Peláez, J. C. Otero, 2006, The Journal of chemical physics.

Multiconfigurational second-order perturbation study of the photochemical decomposition of methyl thionitrite

J. F. Arenas, J. Soto, C. Ruano, 2012 .

The autooxidation process in linoleic acid screened by Raman spectroscopy

J. C. Otero, M. Marques, L. A. D. Carvalho, 2012 .

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

E. Castellucci, R. Valle, J. C. Otero, 2000 .

Potential-energy surfaces related to the thermal decomposition of ethyl azide: The role of intersystem crossings

J. F. Arenas, J. C. Otero, J. Soto, 2000 .

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

E. Castellucci, J. C. Otero, G. Pietraperzia, 1999 .

A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

M. Menziani, J. C. Otero, M. Muniz-Miranda, 2019, Nanomaterials.

Building hot spots in different plasmonic nanoparticles from a cruciform bifunctional dipyridine anthracene

S. Sánchez‐Cortés, J. C. Otero, M. Campos‐Vallette, 2019, Journal of Raman Spectroscopy.

Surface enhanced Raman spectra of 2-cyanopyridine and picolinamide

J. F. Arenas, J. C. Otero, M. Montañez, 1993 .

Obtaining scaled-refined quantum mechanical force fields for large molecules: naphthalene and anthracene

J. F. Arenas, J. C. Otero, J. Marcos, 2001 .

Ring-puckering and internal rotation barriers in N,N′-dimethylethyleneurea

J. C. Otero, J. Marcos, E. Lopez-Cantarero, 1991 .

Assignment of the vibrational spectrum of trimethylpyrazine

S. P. Centeno, J. F. Arenas, J. C. Otero, 2007 .

Vibrational spectra of 3-phenylpropionic acid and L-phenylalanine

J. L. Castro, J. F. Arenas, M. R. L. Ramírez, 2005 .

Scaled quantum mechanical force field of dimethylpyrazines: vibrational assignments

S. P. Centeno, J. F. Arenas, J. C. Otero, 2005 .

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

S. P. Centeno, J. F. Arenas, J. C. Otero, 2004 .

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

S. P. Centeno, J. L. Castro, M. R. Lopez-Ramirez, 2003 .

Vibrational spectra of phenylacetate and phenylglycinate ions

J. L. Castro, I. L. Tocón, M. R. L. Ramírez, 2003 .

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

S. P. Centeno, J. F. Arenas, J. C. Otero, 2002 .

Evidences for the contribution of a resonant charge transfer process to the surface-enhanced Raman scattering of 2,6-dimethylpyridine

S. P. Centeno, J. F. Arenas, J. C. Otero, 2002 .

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

S. P. Centeno, J. C. Otero, J. Marcos, 2001 .

Vibrational spectrum of 4-fluoraniline

E. Castellucci, J. C. Otero, I. López-Tocón, 2001 .

A method to improve the agreement between calculated and observed vibrational frequencies after scaling of a quantum mechanical force field

S. P. Centeno, J. F. Arenas, J. C. Otero, 2000 .

Complete analysis of the surface-enhanced Raman scattering of pyrazine on the silver electrode on the basis of a resonant charge transfer mechanism involving three states

J. F. Arenas, J. C. Otero, J. Marcos, 2000 .

A new procedure for scaling a vibrational force field

J. F. Arenas, J. C. Otero, J. Soto, 1999 .

The charge transfer mechanism in the SERS of 2-methylpyrazine on silver electrode

J. F. Arenas, J. C. Otero, J. Marcos, 1999 .

Vibrational spectra of methylpyridines

J. F. Arenas, J. C. Otero, J. Marcos, 1999 .

Vibrational spectrum of 3-methyl and 4-methylpyridine

J. C. Otero, M. S. Woolley, I. L. Tocón, 1998 .

Application of SQMFF to transition states: thermal decomposition of methylazide and ethylazide

J. F. Arenas, J. Soto, A. Sánchez-Gálvez, 1997 .

Vibrational spectrum of 2-methylpyridine

J. F. Arenas, J. C. Otero, I. L. Tocón, 1997 .

A priori SQM vibrational spectrum of 2,2′-bipyridine

J. C. Otero, I. L. Tocón, F. Márquez, 1997 .

Standard procedure to obtain a convenient set of scale factors in the SQMFF method

J. F. Arenas, J. Soto, A. Sánchez-Gálvez, 1996 .

Vibrational spectra of s-triazine and its halogenated derivatives. Harmonic scaled ab initio force fields for s-triazine, trifluoro-s-triazine and trichloro-s-triazine

J. C. Otero, A. Navarro, J. J. L. González, 1996 .

SERS of dicarboxylic acids on silver sols

J. L. Castro, J. F. Arenas, J. C. Otero, 1995 .

SQM Force Field of Glycine: Application to The Analysis of Raman and SERS Spectra

J. L. Castro, M. Montañez, J. I. Marcos, 1995 .

Application of surface-enhanced resonance Raman scattering (SERS) to the study of organic functional materials: electronic structure and charge transfer properties of 9,10-bis((E)-2-(pyridin-4-yl)vinyl)anthracene

S. Sánchez‐Cortés, J. C. Otero, P. Leyton, 2019, RSC advances.

Charge transfer at the nanoscale and the role of the out-of-plane vibrations in the selection rules of surface-enhanced Raman scattering.

J. C. Otero, J. Soto, I. López‐Tocón, 2018, Physical chemistry chemical physics : PCCP.

An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossing.

J. F. Arenas, J. C. Otero, I. López-Tocón, 2018, Physical chemistry chemical physics : PCCP.

Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations

S. P. Centeno, J. F. Arenas, M. R. Lopez-Ramirez, 2016 .

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

S. P. Centeno, J. F. Arenas, J. C. Otero, 2012 .

Chromone-3-carboxylic acid as a potential electron scavenger: a surface-enhanced Raman scattering study.

J. L. Castro, J. C. Otero, M. Marques, 2011, Physical chemistry chemical physics : PCCP.

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

J. L. Castro, J. C. Otero, I. López-Tocón, 2009, Physical chemistry chemical physics : PCCP.

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

J. L. Castro, J. C. Otero, I. López-Tocón, 2008 .

Resonant charge transfer on the nanoscale: studying doublet states of adsorbates by surface-enhanced Raman scattering

S. P. Centeno, J. L. Castro, J. F. Arenas, 2005 .

Vibrational study of the metal-adsorbate interaction of phenylacetic acid and alpha-phenylglycine on silver surfaces.

J. L. Castro, J. C. Otero, M. R. López Ramírez, 2003, Journal of colloid and interface science.

The role of charge-transfer states of the metal-adsorbate complex in surface-enhanced Raman scattering

J. F. Arenas, J. C. Otero, Juan F. Arenas, 2002 .

Understanding complex surface-enhanced Raman scattering, using quantum chemical calculations

J. F. Arenas, D. Peláez, J. C. Otero, 2005 .

Vibrational spectra of [1H4]pyrazine and [2H4]pyrazine

J. F. Arenas, J. C. Otero, J. Marcos, 1985 .

Electrical conductivity and tensile properties of block‐copolymer‐wrapped single‐walled carbon nanotube/poly(methyl methacrylate) composites

A. Ansón-Casaos, J. C. Otero, J. Puértolas, 2014 .

A multiconfigurational self-consistent field study of the thermal decomposition of methyl azide

J. F. Arenas, J. C. Otero, J. Marcos, 1999 .

Photodissociation mechanism of methyl nitrate. A study with the multistate second-order multiconfigurational perturbation theory.

J. F. Arenas, D. Peláez, J. C. Otero, 2009, Physical chemistry chemical physics : PCCP.

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

E. Castellucci, J. C. Otero, I. López-Tocón, 2001 .

Enhanced Raman Scattering from Pyrazinoic Acid on Silver and Gold Sols

J. L. Castro, J. C. Otero, J. Marcos, 1993 .

A conformational study of hydroxyflavones by vibrational spectroscopy coupled to DFT calculations.

J. C. Otero, M. Marques, L. B. D. Batista de Carvalho, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Study of interaction between aspartic acid and silver by surface-enhanced Raman scattering on H(2)O and D(2)O sols.

J. L. Castro, J. F. Arenas, J. I. Marcos, 2001, Biopolymers.