List of works - Martín Jaraíz

15-Hydroxygermacranolides as Sources of Structural Diversity: Synthesis of Sesquiterpene Lactones by Cyclization and Rearrangement Reactions. Experimental and DFT Study

scientific article published on 03 May 2018

A Concise Route for the Synthesis of Tetracyclic Meroterpenoids: (±)-Aureol Preparation and Mechanistic Interpretation

scientific article published on 26 August 2020

A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene.

scientific article

A kinetic Monte Carlo annealing assessment of the dominant features from ion implant simulations

Atomistic Modeling of Defect Diffusion in SiGe

Atomistic modeling of defect diffusion and interdiffusion in SiGe heterostructures

Bimodal distribution of damage morphology generated by ion implantation

Carbon in silicon: Modeling of diffusion and clustering mechanisms

Comprehensive model of damage accumulation in silicon

Comprehensive modeling of ion-implant amorphization in silicon

Comprehensive, physically based modelling of As in Si

Current Capabilities and Future Prospects of Atomistic Process Simulation

Dose loss and segregation of boron and arsenic at the Si/SiO2 interface by atomistic kinetic Monte Carlo simulations

Fermi-level effects in semiconductor processing: A modeling scheme for atomistic kinetic Monte Carlo simulators

article published in 2005

From point defects to dislocation loops: A comprehensive TCAD model for self-interstitial defects in silicon

From point defects to dislocation loops: A comprehensive modelling framework for self-interstitial defects in silicon

Homocoupling versus reduction of radicals: an experimental and theoretical study of Ti(III)-mediated deoxygenation of activated alcohols.

scientific article published on March 2015

Ion implant simulations: Kinetic Monte Carlo annealing assessment of the dominant features

Ion-beam amorphization of semiconductors: A physical model based on the amorphous pocket population

Ion-implant simulations: The effect of defect spatial correlation on damage accumulation

Mimicking Halimane Synthases: Monitoring a Cascade of Cyclizations and Rearrangements from Epoxypolyprenes

scientific article published on 10 October 2019

Mobile silicon di-interstitial: Surface, self-interstitial clustering, and transient enhanced diffusion phenomena

scholarly article in Physical Review B, vol. 68 no. 19, November 2003

Modeling arsenic deactivation through arsenic-vacancy clusters using an atomistic kinetic Monte Carlo approach

Modeling charged defects, dopant diffusion and activation mechanisms for TCAD simulations using kinetic Monte Carlo

scientific article (publication date: December 2006)

Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of <i>trans</i>-Matrine and the Elusive <i>cis</i>-Matrine

scientific article published on 06 January 2021

Physical atomistic kinetic Monte Carlo modeling of Fermi-level effects of species diffusing in silicon

scholarly article in Physical Review B, vol. 72 no. 3, July 2005

Physical modeling and implementation scheme of native defect diffusion and interdiffusion in SiGe heterostructures for atomistic process simulation

article published in 2011

Physical modeling of Fermi-level effects for decanano device process simulations

Physically based modeling of dislocation loops in ion implantation processing in silicon

Physically based modelling of damage, amorphization, and recrystallization for predictive device-size process simulation

Rational selection of co-catalysts for the deaminative hydrogenation of amides

scientific article published on 20 January 2020

Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan

scientific article published on 18 September 2019

Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?

scientific article published on 5 May 2017

Structural diversity from the transannular cyclizations of natural germacrone and epoxy derivatives: a theoretical-experimental study

scientific article published on 16 April 2013

Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan vs. Furfuryl Alcohol.

scientific article published on 15 February 2018

List of works by Martín Jaraíz