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Description of Shapiro steps on the potential energy surface of a Frenkel–Kontorova model, Part II: free boundaries of the chain

The European physical journal. B, Condensed matter physics, 2021-03, Vol.94 (3), Article 64

2021

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Description of Shapiro steps on the potential energy surface of a Frenkel–Kontorova model Part I: The chain in a variable box

The European physical journal. B, Condensed matter physics, 2021-03, Vol.94 (3), Article 66

2021

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Newton trajectories for the tilted Frenkel-Kontorova model

Molecular physics, 2019-06, Vol.117 (9-12), p.1541-1558

2019

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.4758-4769

2016

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Comment on ‘Out-of-equilibrium Frenkel–Kontorova model’ (Imparato A 2021 J. Stat. Mech. 013214)

Journal of statistical mechanics, 2022-01, Vol.2022 (1), p.13204

2022

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Extent and limitations of density-functional theory in describing magnetic systems

Physical review. B, Condensed matter and materials physics, 2004, Vol.70 (13), p.132414.1-132414.4, Article 132414

2004

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

Physical chemistry chemical physics : PCCP, 2011-09, Vol.13 (35), p.15977-15984

2011

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Unconventional Biradical Character of Titanium Enolates

Journal of the American Chemical Society, 2008-03, Vol.130 (11), p.3242-3243

2008

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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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.14766-14773

2009

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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

The Journal of chemical physics, 2017-04, Vol.146 (13), p.134301-134301

2017

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

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (9), p.6198-6210

2018

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

The Journal of chemical physics, 2014-10, Vol.141 (16), p.164310-164310

2014

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Inelastic electronic excitation and electron transfer processes in collisions between Mg ( 3 S 0 1 ) atoms and K + ( S 0 1 ) ions studied by crossed beams in the 0.10-3.80-keV energy range

The Journal of chemical physics, 2005-09, Vol.123 (12), p.124314-124314-13

2005

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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

The Journal of chemical physics, 2012-10, Vol.137 (15), p.154202-154202

2012

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Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-06, Vol.108 (23), p.5111-5116

2004

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Calculus of variations as a basic tool for modelling of reaction paths and localisation of stationary points on potential energy surfaces

Molecular physics, 2020-06, Vol.118 (12), p.e1667035

2020

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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

Physical chemistry chemical physics : PCCP, 2005-01, Vol.7 (2), p.310-317

2005

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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

The Journal of chemical physics, 2009-07, Vol.131 (2), p.024306-024306

2009

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Point-Dipole Approximation of the Exciton Coupling Model Versus Type of Bonding and of Excitons in Porphyrin Supramolecular Structures

Chemistry : a European journal, 2001-07, Vol.7 (13), p.2733-2737

2001

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Updated Hessian matrix and the restricted step method for locating transition structures

Journal of computational chemistry, 1994-01, Vol.15 (1), p.1-11

Bofill, Josep Maria

1994

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Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

Journal of organic chemistry, 2005-04, Vol.70 (7), p.2509-2521

2005

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The unrestricted natural orbital-complete active space (UNO-CAS) method: an inexpensive alternative to the complete active space-self-consistent-field (CAS-SCF) method

The Journal of chemical physics, 1989-04, Vol.90 (7), p.3637-3646

1989

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Shape and Symmetry of Heptacoordinate Transition-Metal Complexes: Structural Trends

Chemistry : a European journal, 2003-03, Vol.9 (6), p.1281-1295

2003

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Understanding chemical reactions within a generalized Hamilton–Jacobi framework

Chemical physics letters, 2009-08, Vol.478 (1), p.89-96

2009

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On the evaluation of selected eigenpairs of large matrices based on function optimization algorithms

Molecular physics, 2003-01, Vol.101 (1-2), p.45-51

2003

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Description of Shapiro steps on the potential energy surface of a Frenkel–Kontorova model, Part II: free boundaries of the chain

Description of Shapiro steps on the potential energy surface of a Frenkel–Kontorova model Part I: The chain in a variable box

Newton trajectories for the tilted Frenkel-Kontorova model

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

Comment on ‘Out-of-equilibrium Frenkel–Kontorova model’ (Imparato A 2021 J. Stat. Mech. 013214)

Extent and limitations of density-functional theory in describing magnetic systems

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

Unconventional Biradical Character of Titanium Enolates

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

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

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

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

Inelastic electronic excitation and electron transfer processes in collisions between Mg ( 3 S 0 1 ) atoms and K + ( S 0 1 ) ions studied by crossed beams in the 0.10-3.80-keV energy range

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

Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals

Calculus of variations as a basic tool for modelling of reaction paths and localisation of stationary points on potential energy surfaces

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

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

Point-Dipole Approximation of the Exciton Coupling Model Versus Type of Bonding and of Excitons in Porphyrin Supramolecular Structures

Updated Hessian matrix and the restricted step method for locating transition structures

Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)

The unrestricted natural orbital-complete active space (UNO-CAS) method: an inexpensive alternative to the complete active space-self-consistent-field (CAS-SCF) method

Shape and Symmetry of Heptacoordinate Transition-Metal Complexes: Structural Trends

Understanding chemical reactions within a generalized Hamilton–Jacobi framework

On the evaluation of selected eigenpairs of large matrices based on function optimization algorithms

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