Publications with the keyword "hydrogen"


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P. Alexa, J. Lombardi, P. Abufager, H. Busnengo, D. Grumelli, V. Vyas, F. Haase, B. Lotsch, et al.
Enhancing Hydrogen Evolution Activity of Au(111) in Alkaline Media through Molecular Engineering of a 2D Polymer
Angewandte Chemie - International Edition (cited By 0), 59(22), 8411-8415, 2020
alkalinity catalyst activity chemical bonds density functional theory electrocatalysis electronic structure gold hydrogen polymers porous materials renewable energy resources surface chemistry surface reactions electrocatalytic reactions evolution of hydrogens hybrid catalysts hydrogen evolution hydrogen evolution reaction activities molecular engineering renewable energy source ullmann-type couplings hydrogen evolution reaction
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M. Quinto, J. Monti, C. Champion, and R. Rivarola
Neutral hydrogen versus proton-induced ionization in water vapor
Physical Review A (cited By 1), 100(4), 2019
distortion (waves) hydrogen molecules continuum distorted wave-eikonal initial state fine analysis ionization process neutral hydrogen projectile charge water molecule ionization of liquids
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R. Pétuya, P. Larrégaray, C. Crespos, P. Aurel, H. Busnengo, and A. Martínez
Scattering of atomic hydrogen off a H-covered W(110) surface: Hot-atom versus Eley-Rideal abstraction dynamics
Journal of Physical Chemistry C (cited By 19), 119(6), 3171-3179, 2015
abstracting atoms density functional theory hydrogen surface scattering temperature abstraction dynamics abstraction mechanism collision energies low collision energy quasiclassical trajectories reaction mechanism surface arrangement vibrational distribution tungsten
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G. Mansilla, S. Hereñú, and E. Brandaleze
Hydrogen effects on low cycle fatigue of high strength steels
Materials Science and Technology (United Kingdom) (cited By 7), 30(4), 501-505, 2014
energy dispersive analysis hydrogen absorption hydrogen distribution low cycle fatigues metallographic technique silver decoration steelmaking process stress evolution fatigue of materials friction high strength steel hydrogen embrittlement industrial poisons mechanical properties scanning electron microscopy silver metallography steel tensile strength transmission electron microscopy hydrogen
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L. Sementa, M. Wijzenbroek, B. V. Kolck, M. Somers, A. Al-Halabi, H. Busnengo, R. Olsen, G. Kroes, et al.
Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
Journal of Chemical Physics (cited By 53), 138(4), 2013
alignment parameter associative desorptions born-oppenheimer cu(1 0 0) cu(1 1 1) density functionals desorption energy dihydrogen dynamical model dynamics calculations elastic inelastic scattering functional theory highly accurate laser detection low index multiphoton ionization orientational dependence quadrupoles quantum dynamics calculations reactive scattering rotational quantum numbers rotational state rovibrational state specific reaction parameters surface approximation surface atoms theoretical result time-of-flight techniques translational energy vibrational quantum number density functional theory desorption dynamics experiments inelastic scattering light scattering molecular beams quantum chemistry quantum theory surface phenomena copper copper hydrogen algorithm article chemistry comparative study quantum theory rotation vibration algorithms copper hydrogen quantum theory rotation vibration
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B. Gómez, L. Nachez, R. Caruso, A. Díaz-Parralejo, J. Feugeas, and O. D. Sanctis
Interdiffusion phenomena of zirconia-nitride layers on coated AISI 310 steel
ASTM Special Technical Publication (cited By 0), 1532, 71-83, 2012
aluminum nitride diffusion coatings duplex stainless steel hydrogen iron steel industry mechanical properties nitriding plasma applications zirconia american iron steel institutes chemical solution deposition duplex coatings ion nitriding nitrided coatings nitrided steels plasma nitriding zirconia coatings austenitic stainless steel
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B. Gómez, L. Nachez, R. Caruso, A. Díaz-Parralejo, J. Feugeas, and O. D. Sanctis
Interdiffusion phenomena of zirconia-nitride layers on coated AISI 310 Steel
Journal of ASTM International (cited By 0), 8(4), 2011
american iron steel institutes chemical solution deposition duplex coatings inter-diffusion ion nitriding nitride layers nitrided coatings nitrided steels plasma nitriding zirconia coatings diffusion coatings hydrogen iron steel industry iron steel plants mechanical properties nitrides nitriding plasma deposition zirconia stainless steel
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O. Fojón, C. Stia, and R. Rivarola
Erasing the traces of classical mechanics in ionization of H2 by quantum interferences
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 5), 84(3), 2011
antiphase binary peaks classical mechanics classical mechanism emission spectrums fast-electron impact hydrogen molecule in-phase ionization reactions physical features quantum interference quantum interference effects recoil peak single ionization two sources electromagnetic field effects electromagnetic fields emission spectroscopy excited states hydrogen molecules photoionization quantum interference devices impact ionization
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S. Koval, J. Lasave, J. Kohanoff, and R. Migoni
Shell model study of local and global energy barriers in KDP
Ferroelectrics (cited By 3), 401(1), 103-109, 2010
ab initio ab initio calculations cluster sizes different sizes energy profile ferroelectric global instability interaction parameters kdp local distortion mode patterns paraelectrics phase matrix quantitative agreement shell model shell models calculations ferroelectricity hydrogen hydrogen bonds shells (structures) ferroelectric materials
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J. Lasave, J. Kohanoff, R. Migoni, and S. Koval
A shell model for the H-bonded ferroelectric KH2PO4
Physica B: Condensed Matter (cited By 10), 404(18), 2736-2738, 2009
antiferroelectrics experimental data ferroelectric first-principles first-principles calculation h-bonded ferroelectrics interaction parameters kdp metastable structures molecular dynamics simulations paraelectrics relative stabilities shell model shell models binding sites domain walls ferroelectricity finite element method hydrogen hydrogen bonds metastable phases molecular dynamics phase transitions shells (structures) solid state physics structural properties ferroelectric materials
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J. Lasave, S. Koval, and R. Migoni
Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)
Physica B: Condensed Matter (cited By 4), 404(18), 2749-2750, 2009
ab initio adp ammonium dihydrogen phosphate antiferroelectrics electron spins ferroelectric first-principles study hydrogen-bonded ferroelectrics matrix microregions paraelectric phase paraelectric transitions paraelectrics relative stabilities ammonium compounds antiferroelectricity binding sites ferroelectric materials ferroelectricity hydrogen hydrogen bonds spin dynamics finite element method
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C. Díaz, E. Pijper, R. Olsen, H. Busnengo, D. Auerbach, and G. Kroes
Chemically accurate simulation of a prototypical surface reaction: h 2 dissociation on Cu(111)
Science (cited By 230), 326(5954), 832-834, 2009
copper hydrogen accuracy assessment adsorption catalysis copper hydrogen adsorption article catalysis chemical reaction density functional theory dissociation energy molecular dynamics molecular interaction priority journal simulation
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M. Ciappina and R. Rivarola
Interference pattern signatures in fully differential cross sections for single ionization of H2 molecules by fast protons
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 19), 41(1), 2008
hydrogen ionization molecular modeling protons coplanar geometries differential cross sections electron interference signatures molecular dynamics
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J. Alexander, A. Laforge, A. Hasan, Z. MacHavariani, M. Ciappina, R. Rivarola, D. Madison, and M. Schulz
Interference effects due to projectile target nucleus scattering in single ionization of H2 by 75-keV proton impact
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 46), 78(6), 2008
ballistics energy dissipation hydrogen ionization molecular orientation projectiles protons scattering angular dependences doubly differential cross sections energy losses interference effects interference structures molecular hydrogens proton impacts scattering angles single ionizations impact ionization
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J. Fernández, O. Fojón, A. Palacios, and F. Martín
Interferences from fast electron emission in molecular photoionization
Physical Review Letters (cited By 87), 98(4), 2007
electrons hydrogen photoionization polarization vibrations (mechanical) wave interference electron wave length energy sharing molecular photoionization molecular size nodal structure electron emission
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D. Farías, H. Busnengo, and F. Martín
Probing reaction dynamics at metal surfaces with H2 diffraction
Journal of Physics Condensed Matter (cited By 16), 19(30), 2007
electromagnetic wave diffraction hydrogen potential energy surfaces reaction kinetics single crystal surfaces metal surfaces reaction dynamics reactive surfaces metallic compounds
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A. Martínez, W. Dong, and H. Busnengo
Comparative study of H 2 adsorption on W(1 0 0)-c(2 × 2)Cu and W(1 0 0): Surface alloying effects
Applied Surface Science (cited By 4), 254, 82-86, 2007
activation analysis adsorption alloying copper density functional theory dissociation molecular beams activation barriers atomic adsorbed state dissociative adsorption surface alloying effects hydrogen
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D. Barredo, G. Laurent, C. Díaz, P. Nieto, H. Busnengo, A. Salin, D. Farías, and F. Martín
Experimental evidence of dynamic trapping in the scattering of H 2 from Pd(110)
Journal of Chemical Physics (cited By 17), 125(5), 2006
diffraction numerical methods palladium potential energy reflection scattering dynamic trapping high-sensitivity high-sensitivity set-ups specular hydrogen
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N. Pineau, H. Busnengo, J. Rayez, and A. Salin
Relaxation of hot atoms following H2 dissociation on a Pd(111) surface
Journal of Chemical Physics (cited By 24), 122(21), 2005
density-functional theory energy relaxation hot atoms interaction potentials dissociation energy dissipation heating hydrogen mathematical models molecular vibrations palladium potential energy probability density function surfaces thermal effects relaxation processes
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C. Stia, O. Fojón, R. Rivarola, J. Hanssen, O. Kamalou, D. Martina, J.-Y. Chesnel, and F. Frémont
Interference effects in ionization of H2 targets by fast electron impact
Institute of Physics Conference Series (cited By 0), 183, 73-80, 2005
deuterium electron beams hydrogen kinetic energy light emission light interference coherent emission differential cross sections electron impact vibrational states impact ionization
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P. Rivière, H. Busnengo, and F. Martín
Adsorption and scattering of H2 and D2 by NiAl(110)
Journal of Chemical Physics (cited By 31), 123(7), 2005
adsorption deuterium diffraction dissociation probability density function reaction kinetics energy scaling potential energy surface (pes) quasiclassical dynamics six dimensional hydrogen
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M. Pineda, I. Santiago, M. Calzada, and J. Feugeas
Hydrogen production from alcohols using a surface wave discharge (SWD) at atmospheric pressure
32nd EPS Conference on Plasma Physics 2005, EPS 2005, Held with the 8th International Workshop on Fast Ignition of Fusion Targets - Europhysics Conference Abstracts (cited By 2), 3, 1854-1857, 2005
alternative energy complicated systems energetic costs energy source h2 production microwave plasma surface wave discharge atmospheric pressure direct energy conversion hydrogen hydrogen production laser fusion microwaves surface waves electric discharges
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C. Díaz, F. Martín, H. Busnengo, and A. Salin
Theoretical analysis of the relation between H2 dissociation and reflection on Pd surfaces
Journal of Chemical Physics (cited By 21), 120(1), 321-328, 2004
adsorption degrees of freedom (mechanics) dissociation electromagnetic wave diffraction energy dissipation energy transfer hydrogen kinetic energy light reflection light scattering molecular vibrations potential energy probability statistics surface phenomena thermal effects energy scaling temperature dependence thermal equilibrium molecular dynamics
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M. Galassi, R. Rivarola, and P. Fainstein
Multicenter character in single-electron emission from H2 molecules by ion impact
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 66), 70(3), 032721-1-032721-9, 2004
electron emission electron spectroscopy emission spectroscopy heavy ions helium hydrogen ionization mathematical models oscillations interference effects projectile velocity single ionization cross sections molecular physics
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R. V. Willigen, M. Somers, H. Busnengo, and G. Kroes
The dependence of dissociative chemisorption of H2 on Pd(1 1 1) on H2 rotation: A six-dimensional quantum dynamics study
Chemical Physics Letters (cited By 6), 393(13), 166-172, 2004
hydrogen palladium article calculation density functional theory dissociation molecular dynamics molecular physics quantum chemistry rotation
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O. Fojón, J. Fernández, A. Palacios, R. Rivarola, and F. Martín
Interference effects in H2 photoionization at high energies
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 61), 37(15), 3035-3042, 2004
approximation theory degrees of freedom (mechanics) electrons kinetic energy photoionization photons cohen-fano model electron energies impact energies molecular systems total photoionization cross section (tpcs) hydrogen
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M. Somers, R. Olsen, H. Busnengo, E. Baerends, and G. Kroes
Reactive scattering of H2 from Cu(100): Six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface
Journal of Chemical Physics (cited By 24), 121(22), 11379-11387, 2004
approximation theory chemisorption copper dissociation gradient methods hydrogen potential energy probability density function dissociative chemisorption generalized gradient approximation (gga) potential energy surfaces (pes) quantum dynamics quantum theory
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D. Farías, C. Díaz, P. Rivière, H. Busnengo, P. Nieto, M. Somers, G. Kroes, A. Salin, et al.
In-plane and out-of-plane diffraction of H2 from metal surfaces
Physical Review Letters (cited By 65), 93(24), 2004
born-oppenheimer approximations density functional theory (dft) out-of-plane diffraction potential energy surface (pes) angle measurement approximation theory catalysts deuterium diffraction dissociation extrapolation hydrogen mathematical models molecular beams nickel compounds palladium phonons potential energy molecular dynamics
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C. Díaz, H. Busnengo, F. Martin, and A. Salin
Angular distribution of H2 molecules scattered from the Pd(111) surface
Journal of Chemical Physics (cited By 28), 118(6), 2886-2892, 2003
atomic physics calculations electron energy levels hydrogen hydrogen bonds isotopes molecular vibrations palladium probability quantum theory surface structure angular distribution atom scattering molecular rotation molecular scattering molecular dynamics
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M. D. Césare, H. Busnengo, W. Dong, and A. Salin
Role of dynamic trapping in H2 dissociation and reflection on Pd surfaces
Journal of Chemical Physics (cited By 61), 118(24), 11226-11234, 2003
adsorption dissociation interpolation palladium potential energy probability density function reflection dynamic trapping hydrogen
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C. Stia, O. Fojón, P. Weck, J. Hanssen, and R. Rivarola
Interference effects in single ionization of molecular hydrogen by electron impact
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 80), 36(17), L257-L264, 2003
approximation theory hydrogen impact ionization light interference molecular orientation electron impact electron optics
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O. Fojónft, C. Stiaf, P. Weck, J. Haussen, B. Joulakian, and R. Rivarola
Ionization of molecular hydrogen by electron impact
Institute of Physics Conference Series (cited By 0), 172, 11-20, 2003
approximation theory electron scattering functions ionization molecular dynamics electron impact molecular hydrogen triply differential cross sections (tdcs) two-effective center (tec) models hydrogen
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H. Busnengo, E. Pijper, G. Kroes, and A. Salin
Rotational effects in dissociation of H2 on Pd(111): Quantum and classical study
Journal of Chemical Physics (cited By 48), 119(23), 12553-12562, 2003
adsorption calculations continuum mechanics energy transfer hydrogen palladium potential energy probability probability density function quantum theory rotation surfaces classical trajectory calculations density functional theory potential energy surface rotational effects six dimensional quantum dynamical calculations dissociation
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P. Weck, O. Fojón, B. Joulakian, C. Stia, J. Hanssen, and R. Rivarola
Two-center continuum approximation with correct boundary conditions for single-electron emission in e- + H2 collisions
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 26), 66(1), 127111-127118, 2002
approximation theory boundary conditions hydrogen ionization ions molecular physics single-electron emission electron emission
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M. Galassi, R. Rivarola, P. Fainstein, and N. Stolterfoht
Young-type interference patterns in electron emission spectra produced by impact of swift ions on H2 molecules
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 82), 66(5), 052705/1-052705/4, 2002
approximation theory calculations electron emission electron spectroscopy electron transitions hamiltonians hydrogen impact ionization ions mathematical models molecular structure electron emission spectra molecular distorted wave model young type interference patterns molecular dynamics
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C. Stia, O. Fojón, P. Weck, J. Hanssen, B. Joulakian, and R. Rivarola
Molecular three-continuum approximation for ionization of H2 by electron impact
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 57), 66(5), 052709/1-052709/8, 2002
approximation theory electron emission electron scattering electron transport properties hydrogen impact ionization molecular dynamics coulomb functions electron impact molecular nature molecular three continuum approximation molecular physics
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P. Abufager, H. Busnengo, A. Mártínez, and R. Rivarola
Electron capture from excited states of hydrogen by impact of bare ions
Physica Scripta (cited By 1), 66(1), 38-42, 2002
alpha particles approximation theory charge transfer hydrogen ions polarization protons electron capture ground state
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G. Laurent, P. Fainstein, M. Galassi, R. Rivarola, L. Adoui, and A. Cassimi
Orientation and interference effects in single ionization of H2 by fast ions
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 32), 35(22), L495-L501, 2002
electrons hydrogen ionization molecular orientation coherent emission atomic physics
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P. Weck, O. Fojón, J. Hanssen, B. Joulakian, and R. Rivarola
Two-effective center approximation for the single ionization of molecular hydrogen by fast electron impact
Physical Review A. Atomic, Molecular, and Optical Physics (cited By 6), 63(4), 427091-427096, 2001
approximation theory electron transitions electronic structure ground state ionization of gases matrix algebra diatomic hydrogen hydrogen
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C. Stia, O. Fojón, and R. Rivarola
Ionization of hydrogenic targets by electron impact. Scaling laws
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 13), 33(6), 1211-1221, 2000
approximation theory boundary conditions electron transport properties electronic structure functions hydrogen ions kinematics coulomb born approximation electron impact first order born approximation hydrogenic targets wave function ionization
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P. Weck, B. Joulakian, J. Hanssen, O. Fojón, and R. Rivarola
Multiple differential cross sections for single ionization of H2, D2, and T2 molecules by fast electron impact: influence of vibrational states
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 17), 62(1), 014701-014701, 2000
approximation theory deuterium eigenvalues eigenfunctions electron transitions ground state hydrogen ionization mathematical models molecular orientation molecular vibrations quantum theory tritium born approximation fast electron impact fivefold differential cross section atomic physics
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P. Bruzzoni, S. Brühl, B. Gómez, L. Nosei, M. Ortiz, and J. Feugeas
Hydrogen permeation modification of 4140 steel by ion nitriding with pulsed plasmas
Surface and Coatings Technology (cited By 25), 110(12), 13-18, 1998
cracks diffusion in solids electric potential failure analysis fracture glow discharges hydrogen ion beams mechanical permeability nitriding plasma applications ion nitriding steel 4140 steel corrosion hydrogen embrittlement permeation steel
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H. Busnengo, S. Corchs, and R. Rivarola
Electron capture to selective excited states in ion-H2 collisions
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 0), 146(14), 52-56, 1998
electron energy levels hydrogen mathematical models monte carlo methods protons targets electron capture excited state ion hydrogen collision electron traps
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A. Bott, S. Brühl, B. Gómez, M. Zampronio, P. Miranda, and J. Feugeas
Pulsed-plasma-nitrided API 5L X-65 steel: Hydrogen permeability and microstructural aspects
Journal of Physics D: Applied Physics (cited By 12), 31(24), 3469-3474, 1998
electrolysis hydrogen mechanical permeability metallographic microstructure nitriding plasma applications pulsed-plasma technique steel heat treatment
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O. Fojón, R. Gayet, J. Hanssen, P. Hervieux, and R. Rivarola
Positronium formation produced in collisions of fast positrons with atoms (ions)
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 0), 132(2), 331-334, 1997
approximation theory atoms calculations hydrogen ions potassium collisions of fast positrons positronium positrons scaling laws total cross sections atomic physics
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O. Fojón, R. Rivarola, J. Hanssen, and M. Ourdane
Interference effects in positron-H+2 collisions with formation of positronium atoms
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 3), 124(23), 438-442, 1997
electron absorption hydrogen mathematical models molecular orientation born approximation positron impact electron scattering
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H. Busnengo, S. Corchs, A. Martínez, and R. Rivarola
Single electron capture by impact of multicharged ions
Physica Scripta T (cited By 4), 73, 242-244, 1997
approximation theory boron carbon electron beams fluorine helium hydrogen ion beams nitrogen oxygen continuum distorted wave eikonal final state approximation single electron capture charge transfer
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G. Olivera, A. Martínez, R. Rivarola, and P. Fainstein
Electronic stopping power of hydrogen beams traversing oxygen
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 5), 111(12), 7-11, 1996
approximation theory distortion (waves) electric charge energy dissipation hydrogen ions mathematical models oxygen protons charge state fractions coulomb potentials electronic stopping power projectile energies proton impact channels electron beams
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S. Corchs, H. Busnengo, R. Rivarola, and J. McGuire
Interference effects in collisions between heavy ions and molecular targets
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms (cited By 12), 117(12), 41-46, 1996
approximation theory calculations charge transfer dissociation hydrogen ions mathematical models molecular orientation probability targets continuum distorted wave eikonal final state differential cross sections first born approximation heavy ions independent event model interference effects molecular targets transfer excitation probability high energy physics
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Z. Chen, B. Esry, C. Lin, and R. Piacentini
Excitation and ionization of h(2s) by proton impact
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 9), 27(12), 2511-2520, 1994
atomic orbital expansion method dipole moment excitation approximation theory atoms calculations electron energy levels hydrogen ionization numerical methods protons atomic physics
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P. Fainstein, V. Ponce, and R. Rivarola
Ionisation of the first excited state of hydrogen by bare ions at intermediate and high velocities
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 24), 23(9), 1481-1489, 1990
first born approximation first excited state high velocity hydrogen atoms impact energy initial state ion impact projectile charge proton impact total cross section born approximation hydrogen ion bombardment impact ionization
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