CONTE RICCARDO

Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION.

2020

Academic Article

Mixed Access

Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION.

2020

Academic Article

Partially Open Access

Sensitivity of semiclassical vibrational spectroscopy to potential energy surface accuracy: A test on formaldehyde..

VIBRATIONAL SPECTROSCOPY.

2020

Academic Article

Partially Open Access

An effective semiclassical approach to IR spectroscopy.

THE JOURNAL OF CHEMICAL PHYSICS.

2019

Academic Article

Partially Open Access

Improved semiclassical dynamics through adiabatic switching trajectory sampling.

THE JOURNAL OF CHEMICAL PHYSICS.

2019

Academic Article

Partially Open Access

Semiclassical vibrational spectroscopy with Hessian databases.

THE JOURNAL OF CHEMICAL PHYSICS.

2019

Academic Article

Partially Open Access

"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems.

THE JOURNAL OF CHEMICAL PHYSICS.

2018

Academic Article

Open Access

A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes.

THE JOURNAL OF CHEMICAL PHYSICS.

2018

Academic Article

Partially Open Access

Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics.

THE JOURNAL OF CHEMICAL PHYSICS.

2018

Academic Article

Partially Open Access

Protonated glycine supramolecular systems: The need for quantum dynamics.

CHEMICAL SCIENCE.

2018

Academic Article

Open Access

“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters.

THE JOURNAL OF CHEMICAL PHYSICS.

2018

Academic Article

Open Access

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION.

2017

Academic Article

Open Access

Semiclassical "divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

PHYSICAL REVIEW LETTERS.

2017

Academic Article

Open Access

Roaming under the Microscope: Trajectory Study of Formaldehyde Dissociation.

JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY.

2016

Academic Article

Reserved Access

Graphics processing units accelerated semiclassical initial value representation molecular dynamics.

THE JOURNAL OF CHEMICAL PHYSICS.

2014

Academic Article

restricted Access

Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories.

THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS.

2013

Academic Article

Reserved Access

Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems.

2019

Document

Open Access

Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation.

2019

Document

Open Access

Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems.

2019

Document

Open Access

Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems.

2019

Document

Open Access

Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems.

2019

Document

Open Access

Ab-initio and force field molecular dynamics applied to vibrational spectroscopy: the case of Deoxyguanosine and Ac-Phe-Met-NH2.

2018

Document

Open Access

Deoxyguanosine and Ac-Phe-Met-NH2 vibrational spectra: a comparison between ab-initio and force field molecular dynamics.

2018

Document

Open Access

Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems.

2018

Document

Partially Open Access

Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems.

2018

Document

Partially Open Access

Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest.

2018

Document

Open Access

Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems.

2018

Document

Open Access

Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems.

2018

Document

Open Access

A Semiclassical Divide and Conquer method for Spectroscopic calculations of high dimensional molecular systems.

2017

Document

Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations.

2017

Document

Semiclassical Dynamics: A Viable Route to Molecular Spectroscopy.

2017

Document

Open Access

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

2017

Document

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

2017

Document

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

2017

Document

A semiclassical investigation of glycine vibrational frequencies.

2016

Document

Simulating Vibrational Spectra of Variously-sized Molecules via Multiple Coherent Time Averaging Semiclassical Initial Value Representation.

2016

Document

Full-Dimensional Ammonia Vibrational Spectrum from a Handful of Classical Trajectories.

2013

Document

Open Access

CONTE RICCARDO

Pubblicazioni (37)

Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules.

Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields.

Sensitivity of semiclassical vibrational spectroscopy to potential energy surface accuracy: A test on formaldehyde..

An effective semiclassical approach to IR spectroscopy.

Improved semiclassical dynamics through adiabatic switching trajectory sampling.

Semiclassical vibrational spectroscopy with Hessian databases.

"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems.

A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes.

Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics.

Protonated glycine supramolecular systems: The need for quantum dynamics.

“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters.

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum.

Semiclassical "divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

Roaming under the Microscope: Trajectory Study of Formaldehyde Dissociation.

Graphics processing units accelerated semiclassical initial value representation molecular dynamics.

Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories.

Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems.

Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation.

Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems.

Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems.

Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems.

Ab-initio and force field molecular dynamics applied to vibrational spectroscopy: the case of Deoxyguanosine and Ac-Phe-Met-NH2.

Deoxyguanosine and Ac-Phe-Met-NH2 vibrational spectra: a comparison between ab-initio and force field molecular dynamics.

Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems.

Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems.

Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest.

Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems.

Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems.

A Semiclassical Divide and Conquer method for Spectroscopic calculations of high dimensional molecular systems.

Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations.

Semiclassical Dynamics: A Viable Route to Molecular Spectroscopy.

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems.

A semiclassical investigation of glycine vibrational frequencies.

Simulating Vibrational Spectra of Variously-sized Molecules via Multiple Coherent Time Averaging Semiclassical Initial Value Representation.

Full-Dimensional Ammonia Vibrational Spectrum from a Handful of Classical Trajectories.

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