Recent advances in the application of the Schwinger multichannel method with pseudopotentials to electron-molecule collisions

RF da Costa, MTN Varella, MHF Bettega… - The European Physical …, 2015 - Springer
The Schwinger multichannel method [K. Takatsuka and V. McKoy, Phys. Rev. A 30, 1734
(1984)], which is based on the Schwinger variational principle for the scattering amplitude [J …

Electron scattering processes: fundamentals, challenges, advances, and opportunities

S Ptasinska, MTN Varella, MA Khakoo… - The European Physical …, 2022 - Springer
Much effort has been devoted to describing qualitatively and quantitatively electron
scattering processes due to their ever-increasing importance in many industrial and medical …

Mechanisms for S–S and N–Cα bond cleavage in peptide ECD and ETD mass spectrometry

J Simons - Chemical Physics Letters, 2010 - Elsevier
This Letter reviews efforts made to elucidate the mechanism by which electron-capture and
electron-transfer dissociation bond cleavages occur in mass spectrometry. The primary …

Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity

CH Sohn, CK Chung, S Yin… - Journal of the …, 2009 - ACS Publications
Electron capture dissociation (ECD) and electron transfer dissociation (ETD) of doubly
protonated electron affinity (EA)-tuned peptides were studied to further illuminate the …

Electron scattering by formamide: Elastic and electronically inelastic cross sections up to 179 energetically open states

PAS Randi, GM Moreira, MHF Bettega - Physical Review A, 2023 - APS
The Schwinger multichannel method with pseudopotentials was employed to obtain elastic
and electronically inelastic cross sections for the scattering of electrons by formamide up to …

Dissociative electron attachment to gas-phase formamide

T Hamann, A Edtbauer, FF Da Silva, S Denifl… - Physical Chemistry …, 2011 - pubs.rsc.org
Dissociative electron attachment (DEA) to gaseous formamide, HCONH2, has been
investigated in the energy range between 0 eV and 18 eV using a crossed …

Investigating resonant low-energy electron attachment to formamide: Dynamics of model peptide bond dissociation and other fragmentation channels

G Panelli, A Moradmand, B Griffin, K Swanson… - Physical Review …, 2021 - APS
We report experimental results on three-dimensional momentum-imaging measurements of
anions generated via dissociative electron attachment to gaseous formamide. From the …

Empirical correlation methods for temporary anions

T Sommerfeld, RJ Weber - The Journal of Physical Chemistry A, 2011 - ACS Publications
A temporary anion is a short-lived radical anion that decays through electron
autodetachment into a neutral molecule and a free electron. The energies of these …

Refinements to the Utah–Washington mechanism of electron capture dissociation

I Anusiewicz, P Skurski, J Simons - The Journal of Physical …, 2014 - ACS Publications
Ab initio electronic structure calculations on a rather geometrically constrained doubly
positivley charged parent peptide ion are combined with experimental data from others on …

Electronic properties of liquid ammonia: a sequential molecular dynamics/quantum mechanics approach

TS Almeida, K Coutinho, BJ Costa Cabral… - The Journal of chemical …, 2008 - pubs.aip.org
The electronic properties of liquid ammonia are investigated by a sequential molecular
dynamics/quantum mechanics approach. Quantum mechanics calculations for the liquid …