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
Published in Journal of physical chemistry. C (08.11.2012)
Published in Journal of physical chemistry. C (08.11.2012)
Get full text
Journal Article
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
Published in The journal of physical chemistry. B (03.08.2006)
Published in The journal of physical chemistry. B (03.08.2006)
Get full text
Journal Article
Role of surface crossings in the photochemistry of nitromethane
Arenas, Juan F, Otero, Juan C, Peláez, Daniel, Soto, Juan
Published in The Journal of chemical physics (22.02.2005)
Published in The Journal of chemical physics (22.02.2005)
Get more information
Journal Article
An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossing
Aranda, Daniel, Avila, Francisco J, López-Tocón, Isabel, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
Get full text
Journal Article
Carbene Formation in Its Lower Singlet State from Photoexcited 3H-Diazirine or Diazomethane. A Combined CASPT2 and ab Initio Direct Dynamics Trajectory Study
Arenas, Juan F, López-Tocón, Isabel, Otero, Juan C, Soto, Juan
Published in Journal of the American Chemical Society (27.02.2002)
Published in Journal of the American Chemical Society (27.02.2002)
Get full text
Journal Article
Modelling the effect of the electrode potential on the metal-adsorbate surface states: relevant states in the charge transfer mechanism of SERS
Avila, Francisco, Fernandez, David J, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in Chemical communications (Cambridge, England) (01.01.2011)
Published in Chemical communications (Cambridge, England) (01.01.2011)
Get full text
Journal Article
Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p‑Aminothiophenol on the Basis of MS-CASPT2 Calculations
Lopez-Ramirez, Maria Rosa, Aranda Ruiz, Daniel, Avila Ferrer, Francisco José, Centeno, Silvia P, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in Journal of physical chemistry. C (01.09.2016)
Published in Journal of physical chemistry. C (01.09.2016)
Get full text
Journal Article
Surface-enhanced Raman scattering of picolinamide, nicotinamide, and isonicotinamide: Unusual carboxamide deprotonation under adsorption on silver nanoparticles
Castro, Jose L., Arenas, Juan F., Lopez-Ramirez, Maria R., Soto, Juan, Otero, Juan C.
Published in Journal of colloid and interface science (15.04.2013)
Published in Journal of colloid and interface science (15.04.2013)
Get full text
Journal Article
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
Published in Journal of physical chemistry. C (06.02.2014)
Published in Journal of physical chemistry. C (06.02.2014)
Get full text
Journal Article
Comment on "Multiconfigurational perturbation theory can predict a false ground state" by C. Camacho, R. Cimiraglia and H. A. Witek, Phys. Chem. Chem. Phys., 2010, 12, 5058
Soto, Juan, Avila, Francisco J, Otero, Juan C, Arenas, Juan F
Published in Physical chemistry chemical physics : PCCP (21.04.2011)
Published in Physical chemistry chemical physics : PCCP (21.04.2011)
Get full text
Journal Article
Approach to the Atmospheric Chemistry of Methyl Nitrate and Methylperoxy Nitrite. Chemical Mechanisms of Their Formation and Decomposition Reactions in the Gas Phase
Arenas, Juan F, Avila, Francisco J, Otero, Juan C, Peláez, Daniel, Soto, Juan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.01.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.01.2008)
Get full text
Journal Article
Dependence of N-Nitrosodimethylamine Photodecomposition on the Irradiation Wavelength: Excitation to the S2 State as a Doorway to the Dimethylamine Radical Ground-State Chemistry
Peláez, Daniel, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in Journal of organic chemistry (22.06.2007)
Published in Journal of organic chemistry (22.06.2007)
Get full text
Journal Article
Surface-Enhanced Raman Scattering of Benzoate Anion Adsorbed on Silver Nanoclusters: Evidence of the Transient Formation of the Radical Dianion
Lopez-Ramirez, Maria R, Ruano, Cristina, Castro, Jose L, Arenas, Juan F, Soto, Juan, Otero, Juan C
Published in Journal of physical chemistry. C (06.05.2010)
Published in Journal of physical chemistry. C (06.05.2010)
Get full text
Journal Article
Effect of an S1/S0 Conical Intersection on the Chemistry of Nitramide in Its Ground State. A Comparative CASPT2 Study of the Nitro-Nitrite Isomerization Reactions in Nitramide and Nitromethane
Soto, Juan, Arenas, Juan F, Otero, Juan C, Peláez, Daniel
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.07.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.07.2006)
Get full text
Journal Article
A complete active space self-consistent field study of the photochemistry of nitrosamine
Peláez, Daniel, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in The Journal of chemical physics (28.10.2006)
Published in The Journal of chemical physics (28.10.2006)
Get more information
Journal Article