Publications by the researcher in collaboration with Jose Emiliano Rubio Garcia (47)

2024

  1. Rotational Spectroscopy and Conformational Flexibility of 2-Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond

    ChemPhysChem, Vol. 25, Núm. 5

2023

  1. π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 1, pp. 207-213

2022

  1. Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 267

2021

  1. Molecular recognition, transient chirality and sulfur hydrogen bonding in the benzyl mercaptan dimer

    Symmetry, Vol. 13, Núm. 11

2020

  1. Sulfur hydrogen bonding and internal dynamics in the monohydrates of thenyl mercaptan and thenyl alcohol

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 22, pp. 12412-12421

2019

  1. An Efficient Microkinetic Modeling Protocol: Start with only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally

    ACS Catalysis, Vol. 9, Núm. 6, pp. 4804-4809

  2. Rotational spectroscopy of organophosphorous chemical agents: Cresyl and phenyl saligenin phosphates

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 30, pp. 16418-16422

2018

  1. 15-Hydroxygermacranolides as Sources of Structural Diversity: Synthesis of Sesquiterpene Lactones by Cyclization and Rearrangement Reactions. Experimental and DFT Study

    Journal of Organic Chemistry, Vol. 83, Núm. 10, pp. 5480-5495

  2. Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol

    Chemistry - A European Journal, Vol. 24, Núm. 25, pp. 6564-6571

2017

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

    Journal of Organic Chemistry, Vol. 82, Núm. 7, pp. 3760-3766

  2. Rotational spectra of tetracyclic quinolizidine alkaloids: Does a water molecule flip sparteine?

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 27, pp. 17553-17559

2011

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

    Journal of Applied Physics

2010

  1. Atomistic modeling of defect diffusion and interdiffusion in SiGe heterostructures

    Thin Solid Films, Vol. 518, Núm. 9, pp. 2448-2453

2008

  1. Comprehensive model of damage accumulation in silicon

    Journal of Applied Physics, Vol. 103, Núm. 1

  2. The use of extended-defect dissolution as a probe for stress-induced interstitial diffusion anisotropy

    Materials Science and Engineering B: Solid-State Materials for Advanced Technology, Vol. 154-155, Núm. 1-3, pp. 260-263

2007

  1. Atomistic modeling and physical comprehension of the effects of implant dose rate on boron activation in pMOSFET S/D

    ESSDERC 2007 - Proceedings of the 37th European Solid-State Device Research Conference

  2. Atomistic modeling of defect diffusion in SiGe

    2007 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2007

  3. Current capabilities and future prospects of atomistic process simulation

    Technical Digest - International Electron Devices Meeting, IEDM

2006

  1. Modeling and simulation of the influence of SOI structure on damage evolution and ultra-shallow junction formed by Ge preamorphization implants and solid phase epitaxial regrowth

    Materials Research Society Symposium Proceedings

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

    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 253, Núm. 1-2, pp. 63-67