Water radical cations, the crucial intermediates in many aqueous reactions and biochemical
processes, are difficult to investigate experimentally due to their short lifetime and low …

A recently proposed classical-trajectory dynamical screening model for the description of
multiple ionization and capture during ion–water-molecule collisions is extended to …

Purpose Proton ions are expected to be used as a discriminative radiation source to induce
different kinds of mutations than those produced by γ-rays and carbon ions; however, there …

We use the recently introduced independent-atom-model pixel counting method to calculate
proton-impact net ionization cross sections for a large class of biologically relevant systems …

We present a complete simplest-level electron nuclear dynamics (SLEND) investigation of
H++ C2H2 at collision energies ELab= 30, 200, and 450 eV. This reaction is relevant in …

With the simplest‐level electron nuclear dynamics (SLEND) method, we test standard Slater‐
type‐orbital/contracted‐Gaussian‐functions (STO/CGFs) basis sets for the simulation of …

Following our preceding research [PM McLaurin, R. Merritt, JC Domínguez, ES Teixeira and
JA Morales, Phys. Chem. Chem. Phys., 2019, 21, 5006], we present an electron nuclear …

In 30 monosubstituted benzene cation radicals, studied at the ωB97XD/aug-cc-pVTZ level,
the phenyl rings usually adopt a compressed form, but a differently compressed form …

We present the first quantum-mechanical derivation of statistical-law formulas to calculate
zero-to two-electron transfers (ETs) in proton–molecule reactions. The original statistical …

We present the first installment of the quantum computing (QC) formulation of the electron
nuclear dynamics (END) method within the variational quantum simulator (VQS) scheme …