PMID- 32852017 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20200917 IS - 1463-9084 (Electronic) IS - 1463-9076 (Linking) VI - 22 IP - 35 DP - 2020 Sep 21 TI - A classical and semiclassical study of collisions between X(q+) ions and water molecules. PG - 19573-19584 LID - 10.1039/d0cp02839h [doi] AB - Collisions of He(2+), Li(3+) and C(3+) ions with water molecules are studied at energies ranging between 20 keV u(-1) and 500 keV u(-1). Three methods are employed: the classical trajectory Monte Carlo (CTMC), the expansion of the scattering wave function in terms of asymptotic frozen molecular orbitals (AFMO) and a lattice method to numerically solve the time-dependent Schrodinger equation (GridTDSE). Total cross sections for single ionization, single electron capture, transfer ionization and electron production are calculated and compared with previous close-coupling calculations and experiments. The fragmentation branching ratios are discussed. FAU - Illescas, Clara AU - Illescas C AD - Laboratorio Asociado al CIEMAT de Fisica Atomica y Molecular en Plasmas de Fusion, Departamento de Quimica, modulo 13, Universidad Autonoma de Madrid, 28049-Madrid, Spain. l.mendez@uam.es. FAU - Lombana, M A AU - Lombana MA FAU - Mendez, L AU - Mendez L FAU - Rabadan, I AU - Rabadan I FAU - Suarez, Jaime AU - Suarez J LA - eng PT - Journal Article DEP - 20200827 PL - England TA - Phys Chem Chem Phys JT - Physical chemistry chemical physics : PCCP JID - 100888160 SB - IM EDAT- 2020/08/28 06:00 MHDA- 2020/08/28 06:01 CRDT- 2020/08/28 06:00 PHST- 2020/08/28 06:00 [pubmed] PHST- 2020/08/28 06:01 [medline] PHST- 2020/08/28 06:00 [entrez] AID - 10.1039/d0cp02839h [doi] PST - ppublish SO - Phys Chem Chem Phys. 2020 Sep 21;22(35):19573-19584. doi: 10.1039/d0cp02839h. Epub 2020 Aug 27.