Refereed Publications

Attosecond Chemistry Special Issue, preface
Jimena D. Gorfinkiel and Fernando Martin, CPC 299, 109140(2024)
Laser-induced electron diffraction in chiral molecules
Debobrata Rajak, Sandra Beauvarlet, Omer Kneller, Antoine Comby, Raluca Cireasa, Dominique Descamps, Baptiste Fabre, Jimena D. Gorfinkiel, Julien Higuet, Stephane Petit, Shaked Rozen, Hartmut Ruf, Nicolas Thire, Valerie Blanchet, Nirit Dudovich, Bernard Pons, and Yann Mairesse, PRX 14, 011015 (2024) Access here and see Probing Chiral Molecules with Their Own Electrons
UKRmol-scripts: a Perl-based system for the automated operation of the photoionization and electron/positron scattering suite UKRmol+
Karel Houfek, Jakub Benda, Zdenek Masin, Alex Harvey, Thomas Meltzer, Vincent Graves, Jimena D. Gorfinkiel, CPC 298, 109113 (2024) Access here
Resonant fragmentation of the water cation by electron impact: a wave-packet study
I. Benito-Gomez, L. Mendez, J. Suarez, J. D. Gorfinkiel and I. Rabadan, ChemPhysChem, e202300305 (2023) Access here
Analysis of RABITT time delays using the stationary multiphoton molecular R-matrix approach
J. Benda, Z. Masin and J. D. Gorfinkiel, PRA 105, 053101 (2022)
R-matrix calculations for elastic electron and positron scattering from pyrazine: effect of the polarization description
V. Graves and J. D. Gorfinkiel, Eur. Phys. J D, 76, 43 (2002) Access here
Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water
A. Garcia-Abenza, A. I. Lozano, J. C. Oller, F. Blanco, J. D. Gorfinkiel, P. Limao-Vieira , G. Garcia, Atoms, 9, 98 (2021) Access here and data here
Positron Scattering from Pyrazine
D. Edwards, D. Stevens, Z. Cheong, V. Graves, J. D. Gorfinkiel, F.Blanco, G. Garcia, M. J. Brunger, R. D. White and J. P. Sullivan, Phys. Rev. A, 104, 042807 (2021)
Electron attachment to a proton in water by interatomic Coulombic electron capture: An R-matrix study
Axel Molle, Alain Dubois, Jimena D. Gorfinkiel, Lorenz S. Cederbaum, and Nicolas Sisourat, PRA 104, 022818 (2021)
Toward a description of electron-induced dissociative excitation in H$_2$O$^+$: Investigation of three resonances above the $\tilde{B}$ state
I. Rabadan and J. D. Gorfinkiel, PRA 103, 032804 (2021)
Fano interferences in environment-enabled electron capture
Axel Molle, Alain Dubois, Jimena D. Gorfinkiel, Lorenz S. Cederbaum, and Nicolas Sisourat, PRA 103, 012808 (2021)
Perturbative and nonperturbative photoionization of H$_2$ and H$_2$O using the molecular $R$-matrix-with-time method
J. Benda, J. D. Gorfinkiel, Z. Masin, G. S. J. Armstrong, A. C. Brown, D. D. A. Clarke, H. W. van der Hart, and J. Wragg, PRA 102, 052826 (2020)
A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV
F. Costa, A. Traoré-Dubuis, L. Álvarez, A. I. Lozano, X. Ren, A. Dorn, P. Limao-Vieira, F. Blanco, J. C. Oller, A. Munoz, A. García-Abenza, J. D. Gorfinkiel, A. S. Souza, M. H. F. Bettega, P. Stokes, R. White, D. B. Jones, M. J. Brunger and G. Garcia, International Journal of Molecular Sciences, 21, 6947 (2020) Access here
Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway
B.I. Schneider, K. Bartschat, O. Zatsarinny, K. R. Hamilton, I. Bray, A. Scrinzi, F. Martin, J.Gonzalez Vasquez, J. Tennyson, J. D. Gorfinkiel, R. Lucchesse and S. Pamidighantam (PEARC20: Proceedings of the Practice and Experience in Advanced Research Computing 2020) Access here
Electron collisions with BeH2 below 20 eV
Ivan Sukuba and Jimena D. Gorfinkiel, PRA 101, 052709 (2020)
Resonances in molecules and molecular clusters
J. D. Gorfinkiel, Journal of Physics: Conference Series, 1412, 052003 (2020) Access here
Electron Collisions with Molecules and Molecular Clusters
J. D. Gorfinkiel, EPJD, 74, 51 (2020) Access here
UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
Zdenek Masin, Jakub Benda, Jimena D. Gorfinkiel, Alex G. Harvey, Jonathan Tennyson, CPC, 249, 107092 (2020).

Preprint

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses
Andrew Brown, Greg Armstrong, Jakub Benda, Daniel D. A. Clarke, Jack Wragg, Kathryn R. Hamilton, Zdenek Masin, Jimena D. Gorfinkiel, Hugo van der Hart, Comp. Phys. Comm.,250, 107062 (2020).

Preprint

A Science Gateway for Atomic and Molecular Physics
B.I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martin, M. Klinker, J. Tennyson, S. Pamidighantam and J.D. Gorfinkiel (PEARC19: Proceedings of the Practice and Experience in Advanced Research Computing 2019) Preprint
Quantemol Electron Collisions (QEC): an enhanced expert system
Bridgette Cooper, Maria Tudorovskaya, Sebastian Mohr, Aran O'Hare, Martin Hanicinec, Anna Dzarasova, Jimena Gorfinkiel, Jakub Benda, Zdenek Masin, Ahmed Al-Refaie, Peter Knowles, Jonathan Tennyson, Atoms, 7, 97 (2019)
reskit: a toolkit to determine the poles of an S-matrix
P.S. Bingham and J. D. Gorfinkiel, Comp. Phys. Comm.,239, 272 (2019)
Shape and core-excited resonances in electron scattering from alanine
A. Loupas and J. D. Gorfinkiel, J. Chem. Phys., 150, 064307 (2019)
Total electron scattering cross sections from thiophene for the (1-300 eV) impact energy range
A.I. Lozano, A. Loupas, F. Blanco, J. D. Gorfinkiel and G. Garcia, J. Chem. Phys., 149, 134303 (2018)
Interatomic Coulombic electron capture from first principles
Nicolas Sisourat, Tsveta Miteva, Jimena D. Gorfinkiel, Kirill Gokhberg and Lorenz S. Cederbaum, Phys. Rev. A, 98, 020701(R) (2018)
Cross sections for electron scattering from thiophene for a broad energy range
A. Loupas, A.I. Lozano, F. Blanco, J. D. Gorfinkiel and G. Garcia, J. Chem. Phys., 149, 034304 (2018)
Shape and core-excited resonances in thiophene
A. Loupas, K. Regeta, M. Allan and J. D. Gorfinkiel, J. Phys. Chem. A, 122, 1146 (2018)
Electron scattering from molecules and molecular aggregates of biological relevance
J. D. Gorfinkiel and S. Ptasinska, J. Phys. B, 50, 182001 (2017)
Theoretical study of resonance formation in microhydrated molecules (II): thymine-(H$_2$O)$_n$, n=1,2,3,5
A. Sieradzka and J. D. Gorfinkiel, J. Chem. Phys., 147, 034302 (2017)
Theoretical study of resonance formation in microhydrated molecules (I): pyridine-(H$_2$O)$_n$, n=1,2,3,5
A. Sieradzka and J. D. Gorfinkiel, J. Chem. Phys., 147, 034303 (2017)
Resonances in low-energy electron scattering from para-Benzoquinone
A. Loupas and J. D. Gorfinkiel, PCCP, 19, 18252 (2017) Selected as one of 2017 PCCP HOT Articles
On the computations of interatomic Coulombic decay widths with R-matrix method
Nicolas Sisourat, Selma Engin, Jimena D. Gorfinkiel, Sevan Kazandjian, Premysl Kolorenc and Tsveta Miteva, J. Chem. Phys., 146, 244109 (2017)
Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine
M. Allan, K. Regeta, J. D. Gorfinkiel, Z. Masin, Stefan Grimme and Christoph Bannwarth, EPJD, 70, 123 (2016)
Effect of the third $\pi^*$ resonance on the angular distributions for electron-pyrimidine scattering
Z. Masin and J. D. Gorfinkiel, EPJD, 70, 151 (2016)
Absolute cross sections for electronic excitation of pyrimidine by electron impact
K. Regeta, M. Allan, Z. Masin and J. D. Gorfinkiel, J. Chem. Phys., 144, 024302 (2016)
Resonance effects in elastic cross sections for electron scattering from pyrimidine: experiment and theory
K. Regeta, M. Allan, C. Winstead, V.McKoy, Z. Masin and J. D. Gorfinkiel, J. Chem. Phys., 144, 024301 (2016)
The role of multichannel effects in the photoionization of the NO₂ molecule: an ab initio R-Matrix study
D. Brambila, A. G. Harvey, Z. Mašín, J. D. Gorfinkiel and O. Smirnova, J. Phys. B, 48, 245101 (2015).
Electron Scattering from Pyridine
A. Sieradzka, F. Blanco, M. Fuss, Z. Mašín, J. D. Gorfinkieland G. Garcia, J. Phys. Chem. A, 118, 6657 (2014).
Resonance formation in low energy electron scattering from uracil
Z. Mašín and J. D. Gorfinkiel, EPJD, 68, 112 (2014).
Towards accurate representation of the continuum in calculations of electron and positron-molecule collisions and molecular processes in intense laser fields
Z. Mašín and J. D. Gorfinkiel, Journal of Physics: Conference Series, 01209, 490 (2014)
Recent progress in electron scattering from atoms and molecules
M. J. Brunger, S. J. Buckman, J. P. Sullivan, P. Palihawadana, D. B. Jones, L. Chiari, Z. Pettifer, G. B. da Silva, M. C. A. Lopes, H. V. Duque, Z. Masin, J. D. Gorfinkiel, G. Garcia, M. Hoshino, H. Tanaka, and P. Limão-Vieira, AIP Conf. Proc., 1588, 71 (2014).
Electron scattering cross section calculations for polar molecules over a broad energy range
A. G. Sanz, M. C. Fuss, F. Blanco, Z. Masin, J. D. Gorfinkiel, F. Carelli, F. Sebastianelli, F.A. Gianturco and G. Garcia, Appl. Radiat. Isot., 83, 57 (2014).
Cross section calculations for positron scattering from pyrimidine over a broad energy range (0.1-10000 eV)
A. G. Sanz, M. C. Fuss, F. Blanco, Z. Masin, J. D. Gorfinkiel, M. J. Brunger and G. Garcia, Phys. Rev. A, 88, 062704 (2013)
An investigation into electron scattering from pyrazine at intermediate and high energies
A. G. Sanz, Martina Fuss, Francisco Blanco, J. D. Gorfinkiel, Diogo Almeida, Filipe Ferreira da Silva, Paulo Limao Vieira, Michael Brunger, and Gustavo Garcia, J. Chem. Phys., 139, 184310 (2013)
A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane
P. Palihawadana, J. Sullivan, S. Buckman, Z. Masin, J. D. Gorfinkiel, F. Blanco, G. Garcia, and M. J. Brunger, J. Chem. Phys.,139, 014308 (2013)
Shape and core excited resonances in electron collisions with diazines
Z. Mašín and J. D. Gorfinkiel, J. Chem. Phys.,137, 204312 (2012)
Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine
Z. Mašín, J. D. Gorfinkiel, Darryl B. Jones, Susan M. Bellm and Michael J. Brunger, J. Chem. Phys.,136, 144310 (2012)
Electron attachment to molecules in a cluster environment
Ilya Fabrikant, Stefano Caprasecca, G.A. Gallup, and Jimena Gorfinkiel, J. Chem. Phys.,136, 184301 (2012)
UKRmol: a low-energy electron- and positron-molecule scattering suite
J. M. Carr, P. G. Galiatsatos, J. D. Gorfinkiel, A.G. Harvey, M. A. Lysaght, D. Madden, Z. Mašín, M. Plummer, J. Tennyson and H. N. Varambhia, Eur. Phys. J D, 58, 66 (2012)
Elastic and inelastic low energy electron collisions with pyrazine
Z. Mašín and J. D. Gorfinkiel, J. Chem. Phys.,135, 144308 (2011)
Multiple scattering approach to elastic electron collisions with molecular clusters
S. Caprasecca, J. D. Gorfinkiel, D. Bouchiha and L. G. Caron J. Phys. B, 42 095205 (2009)
Energy deposition model based on electron scattering cross section data from water molecules
A. Muñoz, J. C. Oiler, F. Blanco, J. D. Gorfinkiel, P. Limão-Vieira, A. Maira-Vidal, M. J. G Borge, O. Tengblad, C. Huerga, M. Tellez and G. García J. Phys: Conf. Ser., 133, 012002 (2008)
Low and intermediate energy electron collisions with the C₂^- molecular anion
G. Halmova, J. D. Gorfinkiel and J. Tennyson J. Phys. B, 41, 155201 (2008))
Multiple scattering approach to elastic low-energy electron collisions with water dimer
D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche J. Phys. B, 41, 045204 (2008))
Electron-scattering cross sections and stopping powers in H₂O
A. Muñoz, J. C. Oller, F. Blanco, J. D. Gorfinkiel, P. Limão-Vieira and G. García Phys. Rev. A, 76, 052707 (2007)
Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment
L. G. Caron, D. Bouchiha, J. D. Gorfinkiel and L. Sanche Phys. Rev. A 76, 032716 (2007)
Low-energy electron collisions with methanol
D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche J. Phys. B 40, 1259 (2007)
Electron scattering cross sections and stopping powers in H₂
A. Muñoz, J. C. Oller, F. Blanco, J. D. Gorfinkiel and G. García Chem. Phys. Lett 433, 253 (2007)
Low-energy electron collisions with C₂ using the R-matrix method
G. Halmova, J. D. Gorfinkiel and J. Tennyson J. Phys. B 39, 2849 (2006)
Low-energy electron collisions with tetrahydrofuran
D. Bouchiha, J. D. Gorfinkiel, L. G. Caron and L. Sanche, J. Phys. B 39, 975 (2006)
Electron-molecule collisions at low and intermediate energies using the R-matrix method
J. D. Gorfinkiel, A. Faure, S. Taioli, C. Piccarreta, G. Halmova and J. Tennyson, Eur. Phys. J D , 35, 231 (2005)
Electron impact ionisation of small molecules at intermediate energies: the R-matrix with pseudostates method
Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 38, 1607 (2005)
Electron-H3+ collisions at intermediate energies
Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 37, L343 (2004)
Low-energy electron collisions with water: elastic and rotationally inelastic scattering
A. Faure, Jimena D. Gorfinkiel and Jonathan Tennyson J. Phys. B 37, 801 (2004)
Electron-impact rotational excitation rates for the water molecule
A. Faure, Jimena D. Gorfinkiel and Jonathan Tennyson Mon. Not. R. Astron. Soc. 347, 323 (2004)
Electron molecule collisions calculations using the R-matrix method
J. Tennyson, J. D. Gorfinkiel, I. Rozum, C. S. Trevisan and N Vinci Radiation Phys. Chem. 68, 65-72 (2003)
Electron impact dissociative excitation of water within the adiabatic nuclei approximation
Jimena D. Gorfinkiel, Lesley A. Morgan and Jonathan Tennyson J. Phys. B 35, 543 (2002)
GTOBAS: fitting continuum functions with Gaussian-type orbitals
Alexandre Faure, Jimena D. Gorfinkiel, Lesley A. Morgan, Jonathan Tennyson Computer Physics Communications 144, 224 (2002)
Novel model potential treatment of charge transfer cross sections in C⁴⁺ and N⁵⁺ collisions with H₂
L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin,A. Macías, L. Méndez, B. Pons, A. Riera and P. Sanz Phys. Scripta T92, 373 (2001)
Calculations of charge transfer and ionisation cross sections in ion-H₂(D₂,DT,T₂) collisions
D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadan, A. Riera, A. Rojas and P. Sanz Atomic and Plasma-Material Interaction Data for Fusion, V-9 167-178 (2001)
Vibrationally resolved charge transfer and ionisation cross sections for ion-H₂(D₂,DT,T₂) collisions
D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadan, A. Riera, A. Rojas and P. Sanz Atomic and Plasma-Material Interaction Data for Fusion, V-10 (2001)
Ab initio study of collisions between Li⁺ or H⁺ ions and H₂ (D₂, DT, T₂) molecules
D. Elizaga, L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez, A. Riera and A. Rojas J. Phys. B 33, 2037 (2000)
Model potential treatment of C⁴⁺ +H₂ collisions at low impact energies
L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez, B. Pons and A. Riera J. Phys. B 33, 3107 (2000)
Theoretical analysis of electron capture and electron loss in Be⁴⁺ + H₂ and H⁺ + H₂ collisions
R. M. Dreizler, D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, T. Kirchner, O.J. Kroneisen, H. J. Ludde, A. Macías, L. Méndez, A. Riera and A. Rojas J. Phys. B 32, 857 (1999)
Ab initio calculation of charge transfer cross sections in C⁴⁺ + H₂ collisions
L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera J. Phys. B 32, 1705 (1999)
Charge transfer and dissociation in C^q+ + H2 collisions
L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera Phys. Scripta T80, 185 (1999)
Molecular Calculation of charge transfer cross sections in C^q+ + H collisions
L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez, B. Pons and A. Riera J. Phys. B 32, L673 (1999)
Molecular treatment of charge transfer in Be⁴⁺ +H₂ collisions
A. Macías, L. F. Errea, J. D. Gorfinkiel, L. Méndez and A. Riera J. Mol. Struct. (Theochem), 433 169-178, (1998)
Ab initio potential energy surfaces and nonadiabatic couplings involved in Be⁴⁺ + H₂ electron rearrangement
L. F. Errea, J. D Gorfinkiel, E. S. Kryachko, A. Macías, L. Méndez and A. Riera J. Chem. Phys. 106, 172 (1997)
Implementation of the sudden approximation eikonal method in ion-diatom collisions
L. F. Errea, J. D. Gorfinkiel, A. Macías, L. Méndez and A. Riera J. Phys. B 30, 3855 (1997)
Total and partial cross sections of electron transfer processes with hydrogen gas target: Be⁴⁺, Be⁵⁺ + H(1s,2s)
L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez and A. Riera Phys. Scripta T62, 27 (1996)
Total and partial cross sections of electron transfer processes with hydrogen gas target: Be⁴⁺, + H₂
L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez and A. Riera Phys. Scripta T62, 33 (1996)

Book Chapters and booklets

Methods for Electron-Molecule Scattering
R. Celiberto, J. D. Gorfinkiel, A. Laricchiuta and J. Tennyson in Plasma Modeling: Methods and Applications Gianpiero Colonna and Antonio D'Angola editors (IOP Publishing, 2022)
Methods for Low energy Electron-molecule scattering
J. D. Gorfinkiel, M. T. do N. Varella and R. Curic in Low Energy Electrons: Fundamentals and Applications Oddur Ingolfsson, Editor (Pan Stanford Publishing Ltd., 2019)
A multiple-scattering approach to electron collisions with small molecular cluster
J. D. Gorfinkiel and S. Caprasecca in Radiation Damage in Biomolecular Systems G. García Gomez-Tejedor and M. C. Fuss editors (Springer, 2012)
Mathematical and Computational Methods in R-matrix Theory
M. Plummer, J.D. Gorfinkiel and J. Tennyson, Editors (CCP2, Daresbury, 2007)
Calculation of excitation and ionization for electron-molecule collisions at intermediate energies
J. D. Gorfinkiel, Book of Invited Lectures of XXIV ICPEAC, World Scientific Publishing, P. D. Fainstein et al, Eds., 2006.

Publications

Refereed Publications

Attosecond Chemistry Special Issue, preface

Laser-induced electron diffraction in chiral molecules

UKRmol-scripts: a Perl-based system for the automated operation of the photoionization and electron/positron scattering suite UKRmol+

Resonant fragmentation of the water cation by electron impact: a wave-packet study

Analysis of RABITT time delays using the stationary multiphoton molecular R-matrix approach

R-matrix calculations for elastic electron and positron scattering from pyrazine: effect of the polarization description

Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water

Positron Scattering from Pyrazine

Electron attachment to a proton in water by interatomic Coulombic electron capture: An R-matrix study

Toward a description of electron-induced dissociative excitation in H$_2$O$^+$: Investigation of three resonances above the $\tilde{B}$ state

Fano interferences in environment-enabled electron capture

Perturbative and nonperturbative photoionization of H$_2$ and H$_2$O using the molecular $R$-matrix-with-time method

A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0–100 eV

Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway

Electron collisions with BeH2 below 20 eV

Resonances in molecules and molecular clusters

Electron Collisions with Molecules and Molecular Clusters

UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method

RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrodinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses

A Science Gateway for Atomic and Molecular Physics

Quantemol Electron Collisions (QEC): an enhanced expert system

reskit: a toolkit to determine the poles of an S-matrix

Shape and core-excited resonances in electron scattering from alanine

Total electron scattering cross sections from thiophene for the (1-300 eV) impact energy range

Interatomic Coulombic electron capture from first principles

Cross sections for electron scattering from thiophene for a broad energy range

Shape and core-excited resonances in thiophene

Electron scattering from molecules and molecular aggregates of biological relevance

Theoretical study of resonance formation in microhydrated molecules (II): thymine-(H$_2$O)$_n$, n=1,2,3,5

Theoretical study of resonance formation in microhydrated molecules (I): pyridine-(H$_2$O)$_n$, n=1,2,3,5

Resonances in low-energy electron scattering from para-Benzoquinone

On the computations of interatomic Coulombic decay widths with R-matrix method

Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

Effect of the third $\pi^*$ resonance on the angular distributions for electron-pyrimidine scattering

Absolute cross sections for electronic excitation of pyrimidine by electron impact

Resonance effects in elastic cross sections for electron scattering from pyrimidine: experiment and theory

The role of multichannel effects in the photoionization of the NO2 molecule: an ab initio R-Matrix study

Electron Scattering from Pyridine

Resonance formation in low energy electron scattering from uracil

Towards accurate representation of the continuum in calculations of electron and positron-molecule collisions and molecular processes in intense laser fields

Recent progress in electron scattering from atoms and molecules

Electron scattering cross section calculations for polar molecules over a broad energy range

Cross section calculations for positron scattering from pyrimidine over a broad energy range (0.1-10000 eV)

An investigation into electron scattering from pyrazine at intermediate and high energies

A joint theoretical and experimental study for elastic electron scattering from 1,4-dioxane

Shape and core excited resonances in electron collisions with diazines

Elastic and inelastic cross sections for low-energy electron collisions with pyrimidine

Electron attachment to molecules in a cluster environment

UKRmol: a low-energy electron- and positron-molecule scattering suite

Elastic and inelastic low energy electron collisions with pyrazine

Multiple scattering approach to elastic electron collisions with molecular clusters

Energy deposition model based on electron scattering cross section data from water molecules

Low and intermediate energy electron collisions with the C2- molecular anion

Multiple scattering approach to elastic low-energy electron collisions with water dimer

Electron-scattering cross sections and stopping powers in H2O

Adapting gas-phase electron scattering R-matrix calculations to a condensed-matter environment

Low-energy electron collisions with methanol

Electron scattering cross sections and stopping powers in H2

Low-energy electron collisions with C2 using the R-matrix method

Low-energy electron collisions with tetrahydrofuran

Electron-molecule collisions at low and intermediate energies using the R-matrix method

Electron impact ionisation of small molecules at intermediate energies: the R-matrix with pseudostates method

Electron-H3+ collisions at intermediate energies

Low-energy electron collisions with water: elastic and rotationally inelastic scattering

Electron-impact rotational excitation rates for the water molecule

Electron molecule collisions calculations using the R-matrix method

Electron impact dissociative excitation of water within the adiabatic nuclei approximation

GTOBAS: fitting continuum functions with Gaussian-type orbitals

Novel model potential treatment of charge transfer cross sections in C4+ and N5+ collisions with H2

Calculations of charge transfer and ionisation cross sections in ion-H2(D2,DT,T2) collisions

Vibrationally resolved charge transfer and ionisation cross sections for ion-H2(D2,DT,T2) collisions

Ab initio study of collisions between Li+ or H+ ions and H2 (D2, DT, T2) molecules

Model potential treatment of C4+ +H2 collisions at low impact energies

Theoretical analysis of electron capture and electron loss in Be4+ + H2 and H+ + H2 collisions

Ab initio calculation of charge transfer cross sections in C4+ + H2 collisions

Charge transfer and dissociation in Cq+ + H2 collisions

Molecular Calculation of charge transfer cross sections in Cq+ + H collisions

Molecular treatment of charge transfer in Be4+ +H2 collisions

The role of multichannel effects in the photoionization of the NO₂ molecule: an ab initio R-Matrix study

Low and intermediate energy electron collisions with the C₂^- molecular anion

Electron-scattering cross sections and stopping powers in H₂O

Electron scattering cross sections and stopping powers in H₂

Low-energy electron collisions with C₂ using the R-matrix method

Novel model potential treatment of charge transfer cross sections in C⁴⁺ and N⁵⁺ collisions with H₂

Calculations of charge transfer and ionisation cross sections in ion-H₂(D₂,DT,T₂) collisions

Vibrationally resolved charge transfer and ionisation cross sections for ion-H₂(D₂,DT,T₂) collisions

Ab initio study of collisions between Li⁺ or H⁺ ions and H₂ (D₂, DT, T₂) molecules

Model potential treatment of C⁴⁺ +H₂ collisions at low impact energies

Theoretical analysis of electron capture and electron loss in Be⁴⁺ + H₂ and H⁺ + H₂ collisions

Ab initio calculation of charge transfer cross sections in C⁴⁺ + H₂ collisions

Charge transfer and dissociation in C^q+ + H2 collisions

Molecular Calculation of charge transfer cross sections in C^q+ + H collisions

Molecular treatment of charge transfer in Be⁴⁺ +H₂ collisions

Ab initio potential energy surfaces and nonadiabatic couplings involved in Be⁴⁺ + H₂ electron rearrangement

Total and partial cross sections of electron transfer processes with hydrogen gas target: Be⁴⁺, Be⁵⁺ + H(1s,2s)

Total and partial cross sections of electron transfer processes with hydrogen gas target: Be⁴⁺, + H₂