The D alton quantum chemistry program system

K Aidas, C Angeli, KL Bak, V Bakken… - Wiley …, 2014 - Wiley Online Library
Dalton is a powerful general‐purpose program system for the study of molecular electronic
structure at the H artree–F ock, K ohn–S ham, multiconfigurational self‐consistent‐field, M …

Velocity of a Molecule Evaporated from a Water Nanodroplet: Maxwell–Boltzmann Statistics versus Non‐Ergodic Events

H Abdoul‐Carime, F Berthias, L Feketeová… - Angewandte …, 2015 - Wiley Online Library
The velocity of a molecule evaporated from a mass‐selected protonated water nanodroplet
is measured by velocity map imaging in combination with a recently developed mass …

Formation of water chains on CaO (001): What drives the 1D growth?

X Zhao, X Shao, Y Fujimori… - The Journal of …, 2015 - ACS Publications
Formation of partly dissociated water chains is observed on CaO (001) films upon water
exposure at 300 K. While morphology and orientation of the 1D assemblies are revealed …

Measurement of the velocity of neutral fragments by the “correlated ion and neutral time of flight” method combined with “velocity-map imaging”

F Berthias, L Feketeová, R Della Negra… - Review of Scientific …, 2017 - pubs.aip.org
In the challenging field of imaging molecular dynamics, a novel method has been developed
and implemented that allows the measurement of the velocity of neutral fragments produced …

Sequential evaporation of water molecules from protonated water clusters: Measurement of the velocity distributions of the evaporated molecules and statistical …

F Berthias, L Feketeová, H Abdoul-Carime… - Physical Chemistry …, 2018 - pubs.rsc.org
Velocity distributions of neutral water molecules evaporated after collision induced
dissociation of protonated water clusters H+ (H2O) n≤ 10 were measured using the …

Maxwell-Boltzmann versus non-ergodic events in the velocity distribution of water molecules evaporated from protonated water nanodroplets

F Berthias, L Feketeová, H Abdoul-Carime… - The Journal of …, 2018 - pubs.aip.org
Measurement of velocity distributions of evaporated water monomers from small mass-and
energy-selected protonated water clusters allows probing the extent of thermalization after …

Study of solvated molecular ion stability in the gas-phase: cooling and irradiation

P Bertier - 2017 - theses.hal.science
Radiation can damage our biological environment, but it can also be beneficial under
certain controlled conditions. Initial action at microscopic scale consists of electronic …

[BOOK][B] Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions

X Zhao - 2015 - search.proquest.com
Surface science/engineering of metals and metal oxides is crucial for a broad range of
technologies. In surface science, there are two fundamental and technologically important …

[PDF][PDF] Adsorbate-adsorbate interactions on metal and metal oxide surfaces

X Zhao - 2015 - depositonce.tu-berlin.de
Surface science/engineering of metals and metal oxides is crucial for a broad range of
technologies. In surface science, there are two fundamental and technologically important …

The Dalton Quantum Chemistry Program System

H Agren, M Ziolkowski, DJ Wilson, MA Watson… - 2014 - research.avondale.edu.au
Dalton is a powerful general‐purpose program system for the study of molecular electronic
structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller …