J. Lucas

发表

Exact quantum 3D cross sections for the Ne+H2+→NeH++H reaction by the hyperspherical method. Comparison with approximate quantum mechanical and classical results

A. Aguilar, X. Giménez, F. Huarte-Larrañaga, 1999 .

Heavy-heavy-light limit and exchanged-atom isotopic effects in atom-diatom reactivity

A. Aguilar, X. Giménez, A. Laganà, 1992 .

About the convergence of reactive infinite order sudden calculations on parallel computers

A. Aguilar, X. Giménez, A. Laganà, 1991 .

Li + HCl RIOSA cross section calculations on parallel computers

A. Aguilar, X. Giménez, A. Laganà, 1991 .

The Nature of -Cl.cntdot..cntdot..cntdot.Cl- Intermolecular Interactions

A. Stone, S. Price, R. Rowland, 1994 .

The application of complex absorbing potentials to an invariant embedding scattering method. II. Applications

A. Aguilar, X. Giménez, F. Huarte-Larrañaga, 1999 .

Hyperspherical study of the collinear C+HF→CH+F reaction. General dynamic behaviour

A. Aguilar, X. Giménez, J. Lucas, 1989 .

Benchmark rate constants by the hyperquantization algorithm. The F + H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity

Vincenzo Aquilanti, Antonio Aguilar, Josep M. Lucas, 2005 .

Exploring the accuracy level of new potential energy surfaces for the F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics.

V. Aquilanti, D. De Fazio, J. Lucas, 2011, Physical chemistry chemical physics : PCCP.

Exact state-to-state quantum dynamics of the F + HD --> HF(v' = 2) + D reaction on model potential energy surfaces.

V. Aquilanti, A. Aguilar, D. De Fazio, 2008, The Journal of chemical physics.

Exact quantum calculations of the kinetic isotope effect: cross sections and rate constants for the F+HD reaction and role of tunneling.

V. Aquilanti, A. Aguilar, D. De Fazio, 2006, The Journal of chemical physics.

The He + H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern

V. Aquilanti, A. Aguilar, X. Giménez, 2000 .

Reactivity enhanced by under-barrier tunneling and resonances: the F+H2→HF+H reaction

V. Aquilanti, A. Aguilar, X. Giménez, 2003 .

Adiabatic and diabatic representations of potential energy curves for the (NaRb)+ system

M. Albertí, A. Aguilar, J. Lucas, 1996 .

Dynamical study of the collinear C(3P) + HF(1Σ+)→CF(2Π) + H(2S) reaction

A. Aguilar, J. Lucas, A. Solé, 1988 .

A preliminary hyperspherical study of the collinear C + HF → CH + F reaction on an “ab initio” potential energy surface

A. Aguilar, X. Giménez, J. Lucas, 1988 .

Study of ab initio molecular data for inelastic and reactive collisions involving the H3+ quasimolecule.

A. Aguilar, P. Barragán, J. Lucas, 2004, The Journal of chemical physics.

Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F+H2 reaction by the hyperquantization algorithm.

V. Aquilanti, A. Aguilar, D. De Fazio, 2004, The Journal of chemical physics.

Crossed molecular beams study of inelastic non-adiabatic processes in gas phase collisions between sodium ions and ZnBr2 molecules in the 0.10-3.50 keV energy range.

J. M. Bofill, M. Albertí, A. Aguilar, 2012, The Journal of chemical physics.

Dynamical study of the Cs+(1S0)+Mg(3 1S0) non adiabatic collision system in the few keV energy range

J. M. Bofill, M. Albertí, A. Aguilar, 2008 .

Guided ion beams study of ion–molecule reactions at low collision energies: The Li+–acetone adduct formation in the 0.10–1.00 eV center of mass energy range

M. Albertí, A. Aguilar, F. Pirani, 2007 .

Reactive and charge transfer processes in electronically inelastic collisions between ground state cadmium(II) diiodide molecules and lithium ions in the 0.10–4.00 keV energy range by crossed molecular beams

M. Albertí, A. Aguilar, J. Lucas, 2006 .

Crossed ion–atom beam study of the inelastic collision processes between neutral Mg(3 1S0) atoms and Cs+(1S0) ions in the 0.05–4.20 keV energy range

J. M. Bofill, M. Albertí, A. Aguilar, 2005 .

Inelastic electronic excitation and electron transfer processes in collisions between Mg(31S0) atoms and K+(1S0) ions studied by crossed beams in the 0.10-3.80-keV energy range.

J. M. Bofill, M. Albertí, A. Aguilar, 2005, The Journal of chemical physics.

The prediction of chemical reactivity from first principles: Collision and reaction dynamics

A. Aguilar, X. Giménez, J. Lucas, 2002 .

Quasiclassical three-dimensional dynamics of the B + OH → BO + H reaction : dependence on the nature of the potential-energy surface

M. Albertí, A. Aguilar, X. Giménez, 1993 .

A 3D-analysis of the Cl−–benzene dimer solvation by Ar atoms

M. Albertí, A. Aguilar, F. Huarte-Larrañaga, 2011 .

Benzene-hydrogen bond (C6H6-HX) interactions: the influence of the X nature on their strength and anisotropy.

M. Albertí, A. Aguilar, F. Pirani, 2014, The journal of physical chemistry. A.

Competitive role of CH4-CH4 and CH-π interactions in C6H6-(CH4)n aggregates: the transition from dimer to cluster features.

M. Albertí, A. Aguilar, F. Pirani, 2012, The journal of physical chemistry. A.

The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beam techniques and ab initio methods.

J. M. Bofill, M. Albertí, A. Aguilar, 2017, The Journal of chemical physics.

Dehydrohalogenation and Dehydration Reactions of i-C3H7Br and i-C3H7OH by Sodium Ions Studied by Guided Ion Beam Techniques and Quantum Chemical Methods.

J. M. Bofill, A. Aguilar, J. Lucas, 2016, The journal of physical chemistry. A.

Experimental and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ions.

J. M. Bofill, M. Albertí, A. Aguilar, 2014, The Journal of chemical physics.

Cross-section energy dependence of the [C6H6-M]+ adduct formation between benzene molecules and alkali ions (M = Li, Na, K).

J. M. Bofill, M. Albertí, A. Aguilar, 2011, Physical chemistry chemical physics : PCCP.

An ab initio theoretical approach to the gas phase decomposition of C3H7+ produced in ground state Li+ + i‐C3H7Cl collisions

J. M. Bofill, M. Albertí, J. Lucas, 2011 .

Experimental cross-sections energy dependence and an ab initio electronic structure survey of the ground singlet potential surface for reactive Li(+) + n-C(3)H(7)Cl collisions at low energies.

J. M. Bofill, M. Albertí, A. Aguilar, 2010, Physical chemistry chemical physics : PCCP.

Guided-ion-beam and ab initio study of the Li+, K+, and Rb+ association reactions with gas-phase butanone and cyclohexanone in their ground electronic states.

M. Albertí, A. Aguilar, P. Tosi, 2009, The journal of physical chemistry. A.

An experimental guided-ion-beam and ab initio study of the ion-molecule gas-phase reactions between Li+ ions and iso-C3H7Cl in their ground electronic state.

J. M. Bofill, M. Albertí, A. Aguilar, 2009, The Journal of chemical physics.

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

Fernando Pirani, Margarita Albertí, Antonio Aguilar, 2011, Physical chemistry chemical physics : PCCP.

A generalized formulation of ion-π electron interactions: role of the nonelectrostatic component and probe of the potential parameter transferability.

M. Albertí, A. Aguilar, F. Pirani, 2010, The journal of physical chemistry. A.

State-to-state crossed molecular beam measurements for collision processes in Na/Na+, K+ and Cs+ systems

M. Albertí, A. Aguilar, J. Lucas, 1995 .

An experimental study of electronic excitation and electron capture processes in Rb(52S1/2) collision with Cs+ and Li+ ions

A. Aguilar, J. Lucas, T. Romero, 1999 .

Anisotropy Effects in Methyl Chloride Ionization by Metastable Neon Atoms at Thermal Energies

J. Lucas, B. Brunetti, F. Vecchiocattivi, 2000 .

Ab initio dynamics of the He + H+ 2 → HeH+ +H reaction: a new potential energy surface and quantum mechanical cross-sections

V. Aquilanti, A. Aguilar, X. Giménez, 2000 .

Crossed Beams and Theoretical Study of the (NaRb)+ Collisional System

F. Gadéa, M. Albertí, A. Aguilar, 2001 .

Study of electronic excitation and electron capture processes in the collision between ground-state rubidium atoms and potassium ions by crossed beams

M. Albertí, A. Aguilar, J. Lucas, 2001 .

ELECTRONIC EXCITATION AND ELECTRON CAPTURE PROCESSES IN THE COLLISION BETWEEN RB ATOMS AND NA IONS BY CROSSED MOLECULAR BEAMS

M. Albertí, A. Aguilar, J. Lucas, 1997 .

Electron capture processes in the collision between rubidium ions and sodium neutral atoms by crossed molecular beams

M. Albertí, A. Aguilar, J. Lucas, 1997 .

Electronic excitation processes in the collisional system Na(32S) + Rb+(1S) → Na∗ + Rb+(1S) by crossed molecular beams in the 0.1–5.0 keV energy range

M. Albertí, A. Aguilar, J. Lucas, 1996 .

Crossed molecular beams study of the M+(1S)+Na(3 2S)→M+(1S)+Na(3 2P) collision systems (M+=Li+, Na+, K+, Cs+) in the 0.05–3.00 keV energy range

M. Albertí, A. Aguilar, R. Sayós, 1994 .

Rb(52P1/2,3/2) and Rb(62P1/2,3/2) formation in Rb(52S1/2)+Rb+(1S0) collisions by crossed molecular beams

M. Albertí, A. Aguilar, J. Lucas, 1998 .

Electronic excitation and charge transfer processes in collisions between Mg(3(1)S0) atoms and Rb+(1S0) ions in the 0.07-4.00 keV energy range.

J. M. Bofill, M. Albertí, A. Aguilar, 2004, The Journal of chemical physics.

Electron capture processes in collisions between Mg (62S1/2) atoms and Na+(1S0) ions in the 0.10-4.00 keV energy range

A. Aguilar, J. Lucas, J. D. Andrés, 2003 .

An experimental and theoretical study of electronic excitation and charge transfer processes in collisions between Cs(62S1/2) atoms and Na+(1S0) ions in the 0.30-4.00 keV energy range

F. Gadéa, M. Albertí, A. Aguilar, 2002 .

Study by crossed beams and ab initio techniques of an environmentally interesting process: Gas-phase high energy collisions between N2O(1Σ+) and Li+(1S0)

J. M. Bofill, M. Albertí, A. Aguilar, 2015 .

A molecular dynamics study of the evolution from the formation of the $${\text {C}}_{6}{\text {F}}_{6}$$C6F6–($${\text {H}}_{2}{\text {O}})_{n}$$H2O)n small aggregates to the $${\text {C}}_{6}{\text {F}}_{6}$$C6F6 solvation

M. Albertí, A. Amat, A. Aguilar, 2015 .

A molecular dynamics study of the evolution from the formation of the C6F6-(H2O)n small aggregates to the C6F6 solvation

Fernando Pirani, Margarita Albertí, Anna Amat, 2015 .

Hyperquantization algorithm. II. Implementation for the F+H2 reaction dynamics including open-shell and spin-orbit interactions

V. Aquilanti, A. Aguilar, X. Giménez, 1998 .

Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F+H2, including long-range and spin–orbit effects

V. Aquilanti, A. Aguilar, X. Giménez, 2002 .

The reactivity of cyclopropyl cyanide in titan's atmosphere: a possible pre-biotic mechanism.

J. M. Bofill, M. Albertí, A. Aguilar, 2018, Physical chemistry chemical physics : PCCP.

A physical model for atoms and nuclei—part 1

J. Lucas, C. W. Lucas, 2002 .

Static and dynamic properties of anionic intermolecular aggregates: the I−–benzene–Arn case

Fernando Pirani, Margarita Albertí, Josep M. Lucas, 2009 .

Dynamics of Rb+–benzene and Rb+–benzene–Arn (n ⩽ 3) clusters

M. Albertí, A. Aguilar, F. Pirani, 2006 .

Probabilities for the F+H2→HF+H reaction by the hyperquantization algorithm: alternative sequential diagonalization schemes

V. Aquilanti, A. Aguilar, X. Giménez, 1999 .

Experimental study of the reactive processes in the gas phase K(+) + i-C3H7Cl collisions: a comparison with Li and Na ions.

M. Albertí, A. Aguilar, D. Bassi, 2013, The Journal of chemical physics.

Exact quantum dynamics study of the O(+)+H2(v=0,j=0)-->OH(+)+H ion-molecule reaction and comparison with quasiclassical trajectory calculations.

A. Aguilar, X. Giménez, Miguel A González, 2006, The Journal of chemical physics.

A study to improve the van der Waals component of the interaction in water clusters

Antonio Laganà, Fernando Pirani, Margarita Albertí, 2008 .