List of works - Daniel Peláez

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

scientific article published on 01 October 2006

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

scientific article published in February 2006

Conical intersections and intersystem crossings explain product formation in photochemical reactions of aryl azides

scientific article published on 01 January 2019

Dependence of N-nitrosodimethylamine photodecomposition on the irradiation wavelength: excitation to the s(2) state as a doorway to the dimethylamine radical ground-state chemistry

scientific article published on 22 May 2007

Direct observation of spin-forbidden transitions through the use of suitably polarized light

scientific article published on 13 June 2014

Entangled Photonic-Nuclear Molecular Dynamics of LiF in Quantum Optical Cavities

scientific article published on 16 January 2018

Geometrical control of the interatomic coulombic decay process in quantum dots for infrared photodetectors

scientific article published on 25 July 2016

Low-rank sum-of-products finite-basis-representation (SOP-FBR) of potential energy surfaces

scientific article published on 01 December 2020

Multiconfigurational second-order perturbation study of the decomposition of the radical anion of nitromethane.

scientific article

Photochemistry of protonated nitrosamine: chemical inertia of NH2NOH+ versus reactivity of NH3NO+

scientific article published on 19 August 2008

Photodissociation mechanism of nitramide: a CAS-SCF and MS-CASPT2 study

scientific article published on 01 August 2005

Raman study of the rigidity of penta-p-phenylene derivatives used as legs in molecular tripods.

scientific article published on 8 April 2008

Role of surface crossings in the photochemistry of nitromethane.

scientific article published in February 2005

Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations

scientific article published on 14 August 2019

Surface-enhanced Raman scattering of hydroxybenzoic acids adsorbed on silver nanoparticles.

scientific article published on 22 January 2009

The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems ⬇️

scientific article published on January 7, 2013

Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases

scientific article published on 01 December 2006

List of works by Daniel Peláez