Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied PotentialJOURNAL OF PHYSICAL CHEMISTRY CIF3.22024-07-190OAAI
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement MechanismJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52024-04-301OAAI
Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement MechanismsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52022-10-127OA
Voltage selection of physisorbed or chemisorbed 4-cyanobenzoate on a nanostructured silver electrode and the dual electronic structure of charged metal-molecule hybridsAPPLIED SURFACE SCIENCEIF6.92022-03-015OAAI
Origin of Chiroptic Amplification in Perylene-Diimide HelicenesJOURNAL OF PHYSICAL CHEMISTRY CIF3.22021-01-2119PREAI
Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver ElectrodeJOURNAL OF PHYSICAL CHEMISTRY CIF3.22020-07-217PREAI
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed PhaseJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52019-12-1961OAAI
Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver SurfaceFRONTIERS IN CHEMISTRYIF4.22019-06-0518OAAI
Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 CalculationsJOURNAL OF PHYSICAL CHEMISTRY CIF3.22016-08-2221PREAI
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent ModelsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52015-11-2475PREAI
Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures (vol 9, pg 4947, 2013)JOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52014-07-235PREAI
Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite TemperaturesJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52013-10-0968PRE
Duschinsky, Herzberg-Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of PyreneJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52013-07-0967PRE
Phase transformation of PbSe/CdSe nanocrystals from core-shell to Janus structure studied by photoemission spectroscopyPHYSICAL REVIEW BIF3.72013-05-038OA
Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition ApproximationJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52013-03-07216PRE
Quantum-classical effective-modes dynamics of the ππ* → nπ* decay in 9H-adenine. A quadratic vibronic coupling modelFARADAY DISCUSSIONSIF3.12013-01-0147PREAI
How the electrode potential controls the selection rules of the charge transfer mechanism of SERSCHEMICAL COMMUNICATIONSIF4.22011-01-0149PREAI
Modelling the effect of the electrode potential on the metal-adsorbate surface states: relevant states in the charge transfer mechanism of SERSCHEMICAL COMMUNICATIONSIF4.22011-01-0148PREAI
Role of Dimethyl Sulfoxide in the Hydrolytic Peeling of Boron Nitride NanotubesJOURNAL OF PHYSICAL CHEMISTRY CIF3.22009-08-118PREAI
Outstanding Role of Silver Nanoparticles in the Surface-Enhanced Resonance Raman Scattering of p-BenzosemiquinoneJOURNAL OF PHYSICAL CHEMISTRY CIF3.22008-12-0921PREAI