Publications with the keyword "molecules"
Hola !!
M. Mohr,
M. Gruber,
A. Weismann,
D. Jacob,
P. Abufager,
N. Lorente, and
R. Berndt
Spin dependent transmission of nickelocene-Cu contacts probed with shot noise
Physical Review B (cited By 1),
101(7),
2020
density functional theory
molecules
spin polarization
temperature
transmissions
conductance spectra
contact formation
jump-to-contact
low-temperature scanning tunneling microscopes
many-body calculations
smooth transitions
spin excitation
spin-dependent transmission
shot noise
URL,
DOI,
RIS,
BibTex
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R. Moiraghi,
A. Lozano,
E. Peterson,
A. Utz,
W. Dong, and
H. Busnengo
Nonthermalized Precursor-Mediated Dissociative Chemisorption at High Catalysis Temperatures
Journal of Physical Chemistry Letters (cited By 2),
11(6),
2211-2218,
2020
activation energy
atoms
chemisorption
geometry
iridium compounds
molecules
surface defects
surface measurement
catalytic reactivity
dissociative chemisorption
geometry optimization
quasi-classical-trajectory calculations
reaction probability
reactive trajectories
transition state geometry
vibrationally excited
surface reactions
URL,
DOI,
RIS,
BibTex
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A. Mandal,
C. Bagdia,
M. R. Chowdhury,
S. Bhattacharjee,
D. Misra,
J. Monti,
R. Rivarola, and
L. Tribedi
Electron emission from CH4 molecules in collisions with fast bare C ions
Physical Review A (cited By 0),
101(6),
2020
angular distribution
augers
charge density waves
distortion (waves)
heavy ions
molecules
projectiles
angular asymmetry
continuum distorted wave-eikonal initial state
double differential cross sections
ejected electrons
molecular targets
projectile energy
single-differential cross sections
theoretical modeling
electron emission
URL,
DOI,
RIS,
BibTex
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M. Quinto,
M. Alcocer-Avila,
J. Monti,
P. Weck,
O. Fojón,
R. Rivarola, and
C. Champion
Radiodosimetry endpoints obtained with the TILDA-V Monte Carlo tracking structure code
Journal of Physics: Conference Series (cited By 0),
1412(21),
2020
distortion (waves)
ion beams
ionization of liquids
molecules
b-y ions
biological medium
continuum distorted wave-eikonal initial state
electron-capture process
monte carlo tracking
nano-meter scale
quantum mechanical model
water molecule
quantum theory
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DOI,
RIS,
BibTex
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A. Peña-Torres,
H. Busnengo,
J. Juaristi,
P. Larregaray, and
C. Crespos
Energy Dissipation Effects on the Adsorption Dynamics of N 2 on W(100)
Journal of Physical Chemistry C (cited By 2),
123(5),
2900-2910,
2019
adsorption
dynamics
energy dissipation
molecules
phonons
photodissociation
potential energy
quantum chemistry
tungsten
van der waals forces
adsorption probabilities
comparison with experiments
dynamics calculations
electronic excitation
exchange-correlation functionals
generalized langevin oscillator models
quasiclassical trajectories
van der waals interaction
density functional theory
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DOI,
RIS,
BibTex
Hola !!
N. Kocić,
D. Blank,
P. Abufager,
N. Lorente,
S. Decurtins,
S.-X. Liu, and
J. Repp
Implementing Functionality in Molecular Self-Assembled Monolayers
Nano Letters (cited By 1),
19(5),
2750-2757,
2019
cellular automata
electric charge
electric fields
molecules
scanning tunneling microscopy
self assembled monolayers
self assembly
charging characteristics
heterocyclic molecules
interacting molecules
local electric field
quantum cellular automata
self-assembled islands
single molecule
spectroscopic signatures
density functional theory
URL,
DOI,
RIS,
BibTex
Hola !!
S. Bhattacharjee,
C. Bagdia,
M. Chowdhury,
A. Mandal,
J. Monti,
R. Rivarola, and
L. Tribedi
Bare-carbon-ion-impact electron emission from adenine molecules: Differential and total cross-section measurements
Physical Review A (cited By 4),
100(1),
2019
angular distribution
carbon
distortion (waves)
electron emission
electron spectroscopy
electrons
ion bombardment
ionization
ions
molecules
continuum-distorted-wave eikonal-initial-state model
cross-section measurement
electrostatic-deflection analyzers
ion atom collisions
ionization cross section
oscillatory behaviors
single-differential cross sections
total ionization cross sections
bars (metal)
URL,
DOI,
RIS,
BibTex
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M. Ramos,
C. Díaz,
A. Martínez,
F. Martín, and
H. Busnengo
Thickness-Dependent Reactivity of O2 on Cu Layers Grown on Ru(0001) Surfaces
Journal of Physical Chemistry C (cited By 2),
122(27),
15529-15538,
2018
binding energy
copper
molecules
monolayers
potential energy
quantum chemistry
bimetallic surfaces
classical dynamics
diatomic molecules
electronic effects
physical mechanism
spin multiplicity
surface temperatures
theoretical methods
substrates
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DOI,
RIS,
BibTex
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M. Quinto,
P. Montenegro,
J. Monti,
O. Fojón, and
R. Rivarola
Electron capture by swift ions from molecules of biological interest
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 6),
51(16),
2018
biomolecules
carbon dioxide
carbon monoxide
distortion (waves)
ions
molecular orbitals
molecules
biological matter
biological molecule
continuum-distorted-wave eikonal-initial-state model
electron capture
energy depositions
molecular targets
quantum mechanical
swift ions
quantum theory
URL,
DOI,
RIS,
BibTex
Hola !!
P. Terekhin,
M. Quinto,
J. Monti,
O. Fojón, and
R. Rivarola
Single- and multiple-electron processes in water molecules colliding with proton beams
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 1),
51(23),
2018
charge density waves
distortion (waves)
electric conductance
electron transitions
molecules
water
electron capture
electron ionization
electron process
ion-molecule collisions
transfer ionization
ionization of liquids
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DOI,
RIS,
BibTex
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M. Ormaza,
N. Bachellier,
M. Faraggi,
B. Verlhac,
P. Abufager,
P. Ohresser,
L. Joly,
M. Romeo,
et al.
Efficient Spin-Flip Excitation of a Nickelocene Molecule
Nano Letters (cited By 24),
17(3),
1877-1882,
2017
anisotropy
circular dichroism spectroscopy
copper
dichroism
electron tunneling
magnetic anisotropy
magnetic moments
magnetic storage
magnetism
molecules
organometallics
scanning tunneling microscopy
spectroscopy
electrical characterization
excitation process
functionalizations
inelastic electron tunneling spectroscopy
spin flip
supporting surfaces
surface magnetism
x-ray magnetic circular dichroism
density functional theory
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DOI,
RIS,
BibTex
Hola !!
L. Tribedi,
M. R. Chowdhury,
S. Bhattacharjee,
C. Bagdia,
A. Mandal,
D. Misra,
C. Champion,
J. Monti,
et al.
Electron emission from water and neucleobases with radio-sensitizer
Journal of Physics: Conference Series (cited By 1),
875(11),
2017
aromatic compounds
molecules
auger cascades
bragg peaks
double differential
emission cross section
model calculations
radiosensitizers
shape resonance
si ions
electron emission
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DOI,
RIS,
BibTex
Hola !!
M. Ormaza,
P. Abufager,
N. Bachellier,
R. Robles,
M. Verot,
T. L. Bahers,
M.-L. Bocquet,
N. Lorente,
et al.
Assembly of ferrocene molecules on metal surfaces revisited
Journal of Physical Chemistry Letters (cited By 25),
6(3),
395-400,
2015
adsorption
density functional theory
molecules
scanning tunneling microscopy
self assembly
temperature
half-metallic
low-temperature scanning tunneling microscopy
metal surfaces
molecular arrangements
molecular layer
molecular spintronics
non-covalent
organo-metallic molecules
organometallics
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DOI,
RIS,
BibTex
Hola !!
M. Ciappina,
C. Tachino,
R. Rivarola,
S. Sharma, and
M. Schulz
Single- and two-centre effects in fully differential cross sections for single ionization of H2 molecules by 75 keV protons
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 10),
48(11),
2015
distortion (waves)
impact ionization
atomic collision
continuum-distorted-wave eikonal-initial-state model
distorted-wave models
electron ejection
fully differential cross sections
interference effects
interference terms
theoretical calculations
molecules
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DOI,
RIS,
BibTex
Hola !!
F. Blobner,
P. Abufager,
R. Han,
J. Bauer,
D. Duncan,
R. Maurer,
K. Reuter,
P. Feulner,
et al.
Thiolate-Bonded Self-Assembled Monolayers on Ni(111): Bonding Strength, Structure, and Stability
Journal of Physical Chemistry C (cited By 12),
119(27),
15455-15468,
2015
chemical bonds
corrosion inhibitors
density functional theory
molecules
monolayers
nickel
transition metals
x ray absorption spectroscopy
x ray photoelectron spectroscopy
aromatic thiol
bonding configurations
bonding strength
global patterns
low activation
nickel substrates
room temperature
thiol molecules
self assembled monolayers
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DOI,
RIS,
BibTex
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M. Sanctis,
M.-F. Politis,
R. Vuilleumier,
C. Stia, and
O. Fojón
Theoretical study of the ionization of liquid water from its several initial orbitals by fast electron impact
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 9),
48(15),
2015
electrons
impact ionization
ionization
ionization of gases
liquids
molecules
differential cross section
ejected electrons
energetic electron
fast-electron impact
first-order models
liquid
gas phasis
theoretical study
wannier orbitals
ionization of liquids
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DOI,
RIS,
BibTex
Hola !!
D. Fregenal,
J. Fiol,
G. Bernardi,
J. Monti,
S. Suárez,
P. Fainstein,
L. Rodríguez,
R. Rivarola,
et al.
Electron loss in collisions of dressed projectiles with atoms and molecules
Journal of Physics: Conference Series (cited By 0),
635(2),
2015
atoms
electron-electron interactions
molecules
projectiles
electron loss
energy distributions
small molecules
electrons
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DOI,
RIS,
BibTex
Hola !!
C. Champion,
M. Galassi,
P. Weck,
C. Abdallah,
Z. Francis,
M. Quinto,
O. Fojón,
R. Rivarola,
et al.
Ionization induced by protons on isolated molecules of adenine: Theory, modelling and experiment
Journal of Physics: Conference Series (cited By 3),
488(1),
2014
distortion (waves)
molecules
quantum theory
ionization of gases
scheduling
adenine molecules
continuum distorted waves
doubly differential cross sections
isolated molecules
modelling
experiments
quantum mechanical model
semi-empirical
semiempirical models
total cross section
ionization
URL,
DOI,
RIS,
BibTex
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C. Tachino,
J. Monti,
O. Fojón,
C. Champion,
F. Martín, and
R. Rivarola
Influence of the description of the initial bound wavefunction in the single ionization reaction of H2O molecules
Journal of Physics: Conference Series (cited By 0),
488(10),
2014
atoms
impact ionization
ionization
ionization of liquids
wave functions
ionization of gases
continuum state
single ionization
water molecule
molecules
URL,
DOI,
RIS,
BibTex
Hola !!
D. Ohsawa,
H. Tawara,
T. Okada,
F. Soga,
M. Galassi, and
R. Rivarola
Secondary electron emission from water vapor under 6.0 MeV/u C6+ ion impact
Journal of Physics: Conference Series (cited By 3),
388(10),
2012
atoms
charge density waves
ion bombardment
ions
molecules
produced water
secondary emission
water vapor
double differential cross sections
ion impact
low energy regions
secondary electron emissions
single-differential cross sections
theoretical calculations
electron emission
URL,
DOI,
RIS,
BibTex
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L. Tribedi,
A. Agnihotri,
S. Kasthurirangan,
A. Kumar,
C. Champion, and
R. Rivarola
Ionization and fragmentation of RNA base molecule uracil in collisions with carbon ions of energies between 100 keV and 60 MeV
Journal of Physics: Conference Series (cited By 0),
388(10),
2012
aromatic compounds
atoms
carbon
electron emission
electrons
emission spectroscopy
heavy ions
impact ionization
ionization
ions
energy accelerators
high-energy hadrons
high-energy range
ionization cross section
low energy electrons
pelletron accelerators
perturbation strength
tof mass spectrometer
molecules
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DOI,
RIS,
BibTex
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C. Stia,
M.-P. Gaigeott,
M.-A. D. Penhoat,
R. Vuilleumier,
O. Fojón,
I. Tavernelli, and
M.-F. Politis
Ultrafast dissociation of a core-ionized water molecule in liquid phase: Density functional theory based simulations
Journal of Physics: Conference Series (cited By 0),
194(10),
2009
atoms
dissociation
ionization
molecules
first-principles density functional theory
intramolecular hydrogen
ionized molecules
liquid phase
molecular dissociation
solvation shell
ultrafast dissociation
water molecule
density functional theory
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DOI,
RIS,
BibTex
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C. Díaz,
E. Pijper,
R. Olsen,
H. Busnengo,
D. Auerbach, and
G. Kroes
First principles theory for reactive scattering of H2 from Cu(111)
Journal of Physics: Conference Series (cited By 0),
194(13),
2009
catalysis
computation theory
condensed matter physics
molecular beams
molecules
adiabatic models
cu(1 1 1)
density functionals
first-principles theory
metal surfaces
molecule surface
reaction probability
reactive scattering
surface reactions
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DOI,
RIS,
BibTex
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M. Winkworth,
P. Fainstein,
M. Galassi,
J. Baran,
S. Das,
B. Dassanayake,
A. Kayani, and
J. Tanis
Interferences associated with electron emission from O2 by fast ions compared with H2 and N2
Journal of Physics: Conference Series (cited By 0),
194(10),
2009
atoms
molecules
fast ions
first order
oscillatory structure
second-order interference
type interference
electron emission
URL,
DOI,
RIS,
BibTex
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I. Tavernelli,
M.-P. Gaigeot,
R. Vuilleumier,
C. Stia,
M.-A. D. Penhoat, and
M.-F. Politis
Time-dependent density functional theory molecular dynamics simulations of liquid water radiolysis
ChemPhysChem (cited By 39),
9(14),
2099-2103,
2008
atoms
density of liquids
dielectric devices
ionization of liquids
liquids
molecular dynamics
molecular orbitals
molecular oxygen
molecules
petroleum tar
radiation chemistry
radiolysis
coulomb explosion
double ionization
ionization process
ionized molecules
molecular dynamics simulations
time dependent density functional theory
unitary transformations
water chemistry
density functional theory
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DOI,
RIS,
BibTex
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O. Fojón,
A. Palacios,
J. Fernández,
R. Rivarola, and
F. Martín
Interferences in the photoelectron spectrum of H2+ molecules at high energy
Physics Letters, Section A: General, Atomic and Solid State Physics (cited By 30),
350(56),
371-374,
2006
calculations
ground state
molecules
photoelectrons
photoionization
photons
ab initio calculations
b-spline basis function
hydrogen molecule
interference effects
interferences
lcao approximation
oscillatory behaviors
photoelectron spectrum
photoelectron spectroscopy
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DOI,
RIS,
BibTex
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M. Galassi,
R. Rivarola,
M. Beuve,
G. Olivera, and
P. Fainstein
Theoretical calculation of single ionization in collisions between protons and low-Z molecules at intermediate and high energies
Physical Review A - Atomic, Molecular, and Optical Physics (cited By 46),
62(2),
022701-022701,
2000
atoms
binding energy
carbon monoxide
ground state
ionization
molecules
nitrogen
perturbation techniques
protons
continuum distorted wave eikonal initial state
doubly differential
total cross section
molecular wave function
single ionization
molecular dynamics
URL,
RIS,
BibTex
