Lista de obras -

A finite-element visualization of quantum reactive scattering. II. Nonadiabaticity on coupled potential energy surfaces

artículo científico publicado en 2015

A new potential energy surface for OH(A 2Σ+)-Kr: the van der Waals complex and inelastic scattering.

artículo científico publicado en 2012

A new potential energy surface for OH(A Σ2+)–Ar: The van der Waals complex and scattering dynamics

artículo científico publicado en 2008

Ab Initio studies of the interaction potential for the Xe–NO(X 2Π) van der Waals complex: Bound states and fully quantum and quasi-classical scattering

artículo científico publicado en 2012

Ab initio computed diabatic potential energy surfaces of OH-HCl.

artículo científico publicado en 2005

Ab initio potential energy surface, infrared spectra, and dynamics of the ion-molecule complexes between Br- and H2, D2, and HD

artículo científico publicado en 2006

Ab initio studies of the Rg-NO(+)(X(1)Σ(+)) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe).

artículo científico publicado en 2016

Ab initio study of the Br(2P)-HBr van der Waals complex

artículo científico publicado en 2009

Accurate Time-Dependent Wave Packet Calculations for the O(+) + H2 → OH(+) + H Ion-Molecule Reaction

artículo científico publicado en 2015

Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

scientific article published on 01 April 2019

Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface

artículo científico publicado en 2012

Accurate transport properties for O(3P)-H and O(3P)-H2.

artículo científico publicado en 2016

An Experimental and Theoretical Investigation of the C((1)D) + N2 → C((3)P) + N2 Quenching Reaction at Low Temperature.

artículo científico publicado en 2016

An ab initio investigation of the O(3P)-H2(1sigma(g)+) van der Waals well

artículo científico publicado en 2006

Anisotropic dipole polarizability of transition metal atoms: Sc(2D), Ti(3F,3P), V(4F,4P,6D), Ni(3F) and ions: Sc2+(2D), Ti2+(3F,3P).

artículo científico publicado en 2005

Benchmarks for the generation of interaction potentials for scattering calculations: applications to rotationally inelastic collisions of C(4) (X(3)Σ) with He

artículo científico publicado en 2010

Calculations of fine-structure resolved collisional rate coefficients for the NH(X3Σ-)-He system.

artículo científico publicado en 2011

Chemical Control and Spectral Fingerprints of Electronic Coupling in Carbon Nanostructures.

artículo científico publicado en 2016

Cold Anisotropically Interacting van der Waals Molecule: TiHe

artículo científico publicado en 2017

Cold N+NH collisions in a magnetic trap

artículo científico publicado en 2011

Cold heteromolecular dipolar collisions

artículo científico publicado en 2011

Collisional angular momentum depolarization of OH(A) and NO(A) by Ar: a comparison of mechanisms.

artículo científico publicado en 2011

Collisional depolarization of OH(A) with Ar: Experiment and theory.

artículo científico publicado en 2009

Collisional excitation of CH(X²Π) by He: new ab initio potential energy surfaces and scattering calculations.

artículo científico publicado en 2015

Collisional excitation of CN(X2Σ+) by para- and ortho-H2: Fine-structure resolved transitions

artículo científico publicado en 2013

Depolarisation of rotational orientation and alignment in OH (X(2)Pi) + Xe collisions

artículo científico publicado en 2009

Electronic Quenching of OH A 2Σ+ Induced by Collisions with Kr Atoms

artículo científico publicado en 2013

Electronic quenching of O(1D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy

artículo científico publicado en 2015

Final State Resolved Quantum Predissociation Dynamics of SO2(C̃1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State.

artículo científico publicado en 2017

First-principle interaction potentials for metastable He(3S) and Ne(3P) with closed-shell molecules: Application to Penning-ionizing systems

artículo científico publicado en 2013

First-principles C band absorption spectra of SO2 and its isotopologues

artículo científico publicado en 2017

Formation of van der Waals Molecules in Buffer-Gas-Cooled Magnetic Traps ⬇️

artículo científico publicado el 16 de julio de 2010

Fully quantum state-resolved inelastic scattering between He and NO(XΠ2)

artículo científico publicado en 2007

Fully quantum state-resolved inelastic scattering of NO(X) + Kr: Differential cross sections and product rotational alignment

artículo científico publicado en 2014

Fully Λ-doublet resolved state-to-state differential cross-sections for the inelastic scattering of NO(X) with Ar.

artículo científico publicado en 2012

IR-REMPI double resonance spectroscopy: the near-IR spectrum of NO-Ar revisited.

artículo científico publicado en 2008

Inelastic Scattering of NO by Kr: Rotational Polarization over a Rainbow

artículo científico publicado en 2014

Inelastic scattering of OH(X2Pi) with Ar and He: a combined polarization spectroscopy and quantum scattering study.

artículo científico publicado en 2007

Inelastic scattering of the NCO(X2Pi) radical with the He atom on an ab initio potential energy surface

artículo científico publicado en 2009

Interaction of NH(X 3Sigma-) with He: potential energy surface, bound states, and collisional Zeeman relaxation

artículo científico publicado en 2005

Interaction of the NO 3pπ (C 2Π) Rydberg state with RG (RG = Ne, Kr, and Xe): Potential energy surfaces and spectroscopy

artículo científico publicado en 2015

Interaction of the beryllium cation with molecular hydrogen and deuterium

artículo científico publicado en 2014

Interaction potentials of the RG-I anions, neutrals, and cations (RG = He, Ne, Ar)

scientific article published on 01 May 2005

Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl

scientific article published on 01 December 2005

Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr

artículo científico publicado en 2007

Interference structures in the differential cross-sections for inelastic scattering of NO by Ar.

artículo científico publicado en 2011

Low-Temperature Reactivity of C2n+1N(-) Anions with Polar Molecules

artículo científico publicado en 2016

Near-IR spectrum of NO(X2Π)-Xe: a joint experimental-theoretical investigation

artículo científico publicado en 2013

New XDM-corrected potential energy surfaces for Ar-NO(X(2)Π): a comparison with CCSD(T) calculations and experiments.

artículo científico publicado en 2015

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2.

artículo científico publicado en 2016

New findings regarding the NO angular momentum orientation in Ar–NO(2Π1/2) collisions ⬇️

artículo científico publicado el 19 de junio de 2012

Nonadiabatic effects in the photodetachment of ClH2(-).

artículo científico publicado en 2008

Observation of the isotope effect in sub-kelvin reactions

artículo científico publicado en 2014

Orientation and alignment depolarization in OH(X 2Pi)+Ar/He collisions.

artículo científico publicado en 2008

Photoabsorption Assignments for the C̃1B2 ← X̃1A1 Vibronic Transitions of SO2, Using New Ab Initio Potential Energy and Transition Dipole Surfaces

artículo científico publicado en 2017

Properties of the B+-H2 and B+-D2 complexes: A theoretical and spectroscopic study ⬇️

artículo científico publicado el 28 de septiembre de 2012

Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]

artículo científico publicado en 2016

Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

artículo científico publicado en 2015

Quantum scattering of SiS with H2: potential energy surface and rate coefficients at low temperature.

artículo científico publicado en 2008

Rotational Alignment of NO (A2Σ+) from Collisions with Ne ⬇️

artículo científico publicado el 8 de mayo de 2013

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment.

artículo científico publicado en 2015

State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms.

artículo científico publicado en 2010

State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

artículo científico publicado en 2013

Suppression of angular forces in collisions of non-S-state transition metal atoms

scientific article published on 03 January 2005

Surface-hopping trajectories for OH(A2Σ+) + Kr: Extension to the 1A″ state

artículo científico publicado en 2015

The Al+ -H(2) cation complex: rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations

scientific article published on 01 October 2007

The Na(+)-H(2) cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations

artículo científico publicado en 2008

The collisional depolarization of OH(A 2Σ+) and NO(A 2Σ+) with Kr

artículo científico publicado en 2014

The collisional depolarization of Σ2S+1 radicals by closed shell atoms: Theory and application to OH(A Σ2+)+Ar

artículo científico publicado en 2009

The effect of parity conservation on the spin-orbit conserving and spin-orbit changing differential cross sections for the inelastic scattering of NO(X) by Ar.

artículo científico publicado en 2012

The interaction of OH(X²Π) with H₂: ab initio potential energy surfaces and bound states

scientific article published on 01 November 2014

The k-j-j' vector correlation in inelastic and reactive scattering.

artículo científico publicado en 2011

The near-IR spectrum of NO(X̃(2)Π)-Ne detected through excitation into the Ã-state continuum: A joint experimental and theoretical study.

artículo científico publicado en 2016

The near-IR spectrum of NO(X̃2Π)-He detected through excitation into the Ã-state continuum: A joint experimental and theoretical study.

artículo científico publicado en 2016

The rotational excitation of the interstellar HNC by para- and ortho-H2

artículo científico publicado en 2011

Theoretical investigation of the dynamics of O((1)D→(3)P) electronic quenching by collision with Xe

artículo científico publicado en 2015

Theoretical studies of potential energy surface and bound states of the strongly bound He(1S)-BeO (1Σ+) complex

scientific article published on 11 July 2013

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms

artículo científico publicado en 2016

Theoretical study of the multiplet branching of the SD product in the S(1D)+D2-->SD(2Pi)+D reaction

artículo científico publicado en 2007

Lista de obras de

A finite-element visualization of quantum reactive scattering. II. Nonadiabaticity on coupled potential energy surfaces

A new potential energy surface for OH(A 2Σ+)-Kr: the van der Waals complex and inelastic scattering.

A new potential energy surface for OH(A Σ2+)–Ar: The van der Waals complex and scattering dynamics

Ab Initio studies of the interaction potential for the Xe–NO(X 2Π) van der Waals complex: Bound states and fully quantum and quasi-classical scattering

Ab initio computed diabatic potential energy surfaces of OH-HCl.

Ab initio potential energy surface, infrared spectra, and dynamics of the ion-molecule complexes between Br- and H2, D2, and HD

Ab initio studies of the Rg-NO(+)(X(1)Σ(+)) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe).

Ab initio study of the Br(2P)-HBr van der Waals complex

Accurate Time-Dependent Wave Packet Calculations for the O(+) + H2 → OH(+) + H Ion-Molecule Reaction

Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface

Accurate transport properties for O(3P)-H and O(3P)-H2.

An Experimental and Theoretical Investigation of the C((1)D) + N2 → C((3)P) + N2 Quenching Reaction at Low Temperature.

An ab initio investigation of the O(3P)-H2(1sigma(g)+) van der Waals well

Anisotropic dipole polarizability of transition metal atoms: Sc(2D), Ti(3F,3P), V(4F,4P,6D), Ni(3F) and ions: Sc2+(2D), Ti2+(3F,3P).

Benchmarks for the generation of interaction potentials for scattering calculations: applications to rotationally inelastic collisions of C(4) (X(3)Σ) with He

Calculations of fine-structure resolved collisional rate coefficients for the NH(X3Σ-)-He system.

Chemical Control and Spectral Fingerprints of Electronic Coupling in Carbon Nanostructures.

Cold Anisotropically Interacting van der Waals Molecule: TiHe

Cold N+NH collisions in a magnetic trap

Cold heteromolecular dipolar collisions

Collisional angular momentum depolarization of OH(A) and NO(A) by Ar: a comparison of mechanisms.

Collisional depolarization of OH(A) with Ar: Experiment and theory.

Collisional excitation of CH(X²Π) by He: new ab initio potential energy surfaces and scattering calculations.

Collisional excitation of CN(X2Σ+) by para- and ortho-H2: Fine-structure resolved transitions

Depolarisation of rotational orientation and alignment in OH (X(2)Pi) + Xe collisions

Electronic Quenching of OH A 2Σ+ Induced by Collisions with Kr Atoms

Electronic quenching of O(1D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy

Final State Resolved Quantum Predissociation Dynamics of SO2(C̃1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State.

First-principle interaction potentials for metastable He(3S) and Ne(3P) with closed-shell molecules: Application to Penning-ionizing systems

First-principles C band absorption spectra of SO2 and its isotopologues

Formation of van der Waals Molecules in Buffer-Gas-Cooled Magnetic Traps ⬇️

Fully quantum state-resolved inelastic scattering between He and NO(XΠ2)

Fully quantum state-resolved inelastic scattering of NO(X) + Kr: Differential cross sections and product rotational alignment

Fully Λ-doublet resolved state-to-state differential cross-sections for the inelastic scattering of NO(X) with Ar.

IR-REMPI double resonance spectroscopy: the near-IR spectrum of NO-Ar revisited.

Inelastic Scattering of NO by Kr: Rotational Polarization over a Rainbow

Inelastic scattering of OH(X2Pi) with Ar and He: a combined polarization spectroscopy and quantum scattering study.

Inelastic scattering of the NCO(X2Pi) radical with the He atom on an ab initio potential energy surface

Interaction of NH(X 3Sigma-) with He: potential energy surface, bound states, and collisional Zeeman relaxation

Interaction of the NO 3pπ (C 2Π) Rydberg state with RG (RG = Ne, Kr, and Xe): Potential energy surfaces and spectroscopy

Interaction of the beryllium cation with molecular hydrogen and deuterium

Interaction potentials of the RG-I anions, neutrals, and cations (RG = He, Ne, Ar)

Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl

Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr

Interference structures in the differential cross-sections for inelastic scattering of NO by Ar.

Low-Temperature Reactivity of C2n+1N(-) Anions with Polar Molecules

Near-IR spectrum of NO(X2Π)-Xe: a joint experimental-theoretical investigation

New XDM-corrected potential energy surfaces for Ar-NO(X(2)Π): a comparison with CCSD(T) calculations and experiments.

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2.

New findings regarding the NO angular momentum orientation in Ar–NO(2Π1/2) collisions ⬇️

Nonadiabatic effects in the photodetachment of ClH2(-).

Observation of the isotope effect in sub-kelvin reactions

Orientation and alignment depolarization in OH(X 2Pi)+Ar/He collisions.

Photoabsorption Assignments for the C̃1B2 ← X̃1A1 Vibronic Transitions of SO2, Using New Ab Initio Potential Energy and Transition Dipole Surfaces

Properties of the B+-H2 and B+-D2 complexes: A theoretical and spectroscopic study ⬇️

Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]

Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

Quantum scattering of SiS with H2: potential energy surface and rate coefficients at low temperature.

Rotational Alignment of NO (A2Σ+) from Collisions with Ne ⬇️

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment.

State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms.

State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

Suppression of angular forces in collisions of non-S-state transition metal atoms

Surface-hopping trajectories for OH(A2Σ+) + Kr: Extension to the 1A″ state

The Al+ -H(2) cation complex: rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations

The Na(+)-H(2) cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations

The collisional depolarization of OH(A 2Σ+) and NO(A 2Σ+) with Kr

The collisional depolarization of Σ2S+1 radicals by closed shell atoms: Theory and application to OH(A Σ2+)+Ar

The effect of parity conservation on the spin-orbit conserving and spin-orbit changing differential cross sections for the inelastic scattering of NO(X) by Ar.

The interaction of OH(X²Π) with H₂: ab initio potential energy surfaces and bound states

The k-j-j' vector correlation in inelastic and reactive scattering.

The near-IR spectrum of NO(X̃(2)Π)-Ne detected through excitation into the Ã-state continuum: A joint experimental and theoretical study.

The near-IR spectrum of NO(X̃2Π)-He detected through excitation into the Ã-state continuum: A joint experimental and theoretical study.

The rotational excitation of the interstellar HNC by para- and ortho-H2

Theoretical investigation of the dynamics of O((1)D→(3)P) electronic quenching by collision with Xe

Theoretical studies of potential energy surface and bound states of the strongly bound He(1S)-BeO (1Σ+) complex

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms

Theoretical study of the multiplet branching of the SD product in the S(1D)+D2-->SD(2Pi)+D reaction