Lista de obras -

A fluctuating quantum model of the CO vibration in carboxyhemoglobin ⬇️

artículo científico publicado el 7 de junio de 2011

A new interpretation of the meaning of the center of line slope from a two-dimensional infrared spectrum.

artículo científico publicado en 2016

A simple but accurate potential for the naphthalene-argon complex: applications to collisional energy transfer and matrix isolated IR spectroscopy

artículo científico publicado en 2013

Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs)

article

Atomistic modeling of the infrared response of fullerenes under hydrostatic pressure

scientific article published on 28 September 2018

Atomistic modeling of vibrational action spectra in polyatomic molecules: nuclear quantum effects.

artículo científico publicado en 2014

Coherent two dimensional infrared spectroscopy of a cyclic decapeptide antamanide. A simulation study of the amide-I and A bands

artículo científico publicado en 2008

Direct observation of self-trapped vibrational states in alpha-helices

artículo científico publicado en 2004

Effects of hydrogen dissociation on the infrared emission spectra of naphthalene: theoretical modeling

scientific article published on 04 April 2013

Erratum: "Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals" [J. Chem. Phys. 147, 013908 (2017)]

artículo científico publicado en 2020

Exciton-phonon dynamics on complex networks: Comparison between a perturbative approach and exact calculations.

artículo científico publicado en 2017

Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulations

artículo científico publicado en 2012

Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations

artículo científico publicado en 2012

Intramolecular Processes Revealed Using UV-Laser-Induced IR-Fluorescence: A New Perspective on the "Channel Three" of Benzene

artículo científico publicado en 2014

Isomerization kinetics of flexible molecules in the gas phase: Atomistic versus coarse-grained sampling

scientific article published on 01 August 2018

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

scientific article published on 01 February 2018

Low-energy vibrational spectra of flexible diphenyl molecules: biphenyl, diphenylmethane, bibenzyl and 2-, 3- and 4-phenyltoluene

artículo científico publicado en 2014

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

artículo científico publicado en 2016

Photoionization of cold gas phase coronene and its clusters: autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation.

artículo científico publicado en 2014

Probing the spin multiplicity of gas-phase polycyclic aromatic hydrocarbons through their infrared emission spectrum: a theoretical study

artículo científico publicado en 2012

Relaxation channels of two-vibron bound states in alpha-helix proteins.

artículo científico publicado en 2004

State-selective excitation of the CO stretch in carboxyhemoglobin by mid-IR laser pulse shaping: a theoretical investigation.

artículo científico publicado en 2013

Synchrotron-based valence shell photoionization of CH radical

artículo científico publicado en 2016

Two-dimensional double-quantum spectra reveal collective resonances in an atomic vapor

artículo científico publicado en 2012

Ultrafast Dynamics of Carboxy-Hemoglobin: Two-Dimensional Infrared Spectroscopy Experiments and Simulations.

artículo científico publicado en 2015

Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

artículo científico publicado en 2017

Vibrational ladder climbing in carboxy-hemoglobin: effects of the protein environment

artículo científico publicado en 2013

Vibrational spectra of polyatomic molecules assisted by quantum thermal baths

scientific article published on 29 June 2012

Vibron-polaron critical localization in a finite size molecular nanowire.

artículo científico publicado en 2005

Vibron-polaron in alpha-helices. I. Single-vibron states.

artículo científico publicado en 2005

Vibron-polaron in alpha-helices. II. Two-vibron bound states.

artículo científico publicado en 2005

Visible photodissociation spectra of the 1- and 2-methylnaphthalene cations: laser spectroscopy and theoretical simulations

artículo científico publicado en 2013

Lista de obras de

A fluctuating quantum model of the CO vibration in carboxyhemoglobin ⬇️

A new interpretation of the meaning of the center of line slope from a two-dimensional infrared spectrum.

A simple but accurate potential for the naphthalene-argon complex: applications to collisional energy transfer and matrix isolated IR spectroscopy

Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs)

Atomistic modeling of the infrared response of fullerenes under hydrostatic pressure

Atomistic modeling of vibrational action spectra in polyatomic molecules: nuclear quantum effects.

Coherent two dimensional infrared spectroscopy of a cyclic decapeptide antamanide. A simulation study of the amide-I and A bands

Direct observation of self-trapped vibrational states in alpha-helices

Effects of hydrogen dissociation on the infrared emission spectra of naphthalene: theoretical modeling

Erratum: "Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals" [J. Chem. Phys. 147, 013908 (2017)]

Exciton-phonon dynamics on complex networks: Comparison between a perturbative approach and exact calculations.

Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulations

Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations

Intramolecular Processes Revealed Using UV-Laser-Induced IR-Fluorescence: A New Perspective on the "Channel Three" of Benzene

Isomerization kinetics of flexible molecules in the gas phase: Atomistic versus coarse-grained sampling

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

Low-energy vibrational spectra of flexible diphenyl molecules: biphenyl, diphenylmethane, bibenzyl and 2-, 3- and 4-phenyltoluene

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

Photoionization of cold gas phase coronene and its clusters: autoionization resonances in monomer, dimer, and trimer and electronic structure of monomer cation.

Probing the spin multiplicity of gas-phase polycyclic aromatic hydrocarbons through their infrared emission spectrum: a theoretical study

Relaxation channels of two-vibron bound states in alpha-helix proteins.

State-selective excitation of the CO stretch in carboxyhemoglobin by mid-IR laser pulse shaping: a theoretical investigation.

Synchrotron-based valence shell photoionization of CH radical

Two-dimensional double-quantum spectra reveal collective resonances in an atomic vapor

Ultrafast Dynamics of Carboxy-Hemoglobin: Two-Dimensional Infrared Spectroscopy Experiments and Simulations.

Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

Vibrational ladder climbing in carboxy-hemoglobin: effects of the protein environment

Vibrational spectra of polyatomic molecules assisted by quantum thermal baths

Vibron-polaron critical localization in a finite size molecular nanowire.

Vibron-polaron in alpha-helices. I. Single-vibron states.

Vibron-polaron in alpha-helices. II. Two-vibron bound states.

Visible photodissociation spectra of the 1- and 2-methylnaphthalene cations: laser spectroscopy and theoretical simulations