Related references
Note: Only part of the references are listed.Quantitative electronic structure and work-function changes of liquid water induced by solute
Bruno Credidio et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
A setup for studies of photoelectron circular dichroism from chiral molecules in aqueous solution
Sebastian Malerz et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2022)
Accurate vertical ionization energy and work function determinations of liquid water and aqueous solutions
Stephan Thurmer et al.
CHEMICAL SCIENCE (2021)
Interatomic and Intermolecular Coulombic Decay
Till Jahnke et al.
CHEMICAL REVIEWS (2020)
Core-level interatomic Coulombic decay in van derWaals clusters
Andreas Hans et al.
PHYSICAL REVIEW RESEARCH (2020)
Observation of the fastest chemical processes in the radiolysis of water
Z-H Loh et al.
SCIENCE (2020)
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
General Linear Scaling Implementation of Polarizable Embedding Schemes
Filippo Lipparini
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Cation Hydration and Ion Pairing in Aqueous Solutions of MgCl2 and CaCl2
Sergej Friesen et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Do water's electrons care about electrolytes?
Marvin N. Pohl et al.
CHEMICAL SCIENCE (2019)
Direct observation of interatomic Coulombic decay and subsequent ion-atom scattering in helium nanodroplets
F. Wiegandt et al.
PHYSICAL REVIEW A (2019)
Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations
Elise Duboue-Dijon et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Optimal Tuning of Range-Separated Hybrids for Solvated Molecules with Time-Dependent Density Functional Theory
Martina Rubesova et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Sensitivity of Electron Transfer Mediated Decay to Ion Pairing
Marvin N. Pohl et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
Observation of electron-transfer-mediated decay in aqueous solution
Isaak Unger et al.
NATURE CHEMISTRY (2017)
Advances in liquid phase soft-x-ray photoemission spectroscopy: A new experimental setup at BESSY II
Robert Seidel et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2017)
Electronic structure of aqueous solutions: Bridging the gap between theory and experiments
Tuan Anh Pham et al.
SCIENCE ADVANCES (2017)
Water-Mediated Ion Pairing: Occurrence and Relevance
Nico F. A. van der Vegt et al.
CHEMICAL REVIEWS (2016)
Water at Interfaces
E. Bjornehohn et al.
CHEMICAL REVIEWS (2016)
Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment
Ariel A. Chialvo et al.
FLUID PHASE EQUILIBRIA (2016)
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
Daniele Loco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Relaxation Processes in Aqueous Systems upon X-ray Ionization: Entanglement of Electronic and Nuclear Dynamics
Petr Slavicek et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Photoelectron Spectra of Aqueous Solutions from First Principles
Alex P. Gaiduk et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
The role of metal ions in X-ray-induced photochemistry
V. Stumpf et al.
NATURE CHEMISTRY (2016)
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
Sonia Coriani et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Polarizable Molecular Dynamics in a Polarizable Continuum Solvent
Filippo Lipparini et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Site- and energy-selective slow-electron production through intermolecular Coulombic decay
Kirill Gokhberg et al.
NATURE (2014)
Resonant Auger decay driving intermolecular Coulombic decay in molecular dimers
F. Trinter et al.
NATURE (2014)
Using ICD for structural analysis of clusters: a case study on NeAr clusters
E. Fasshauer et al.
NEW JOURNAL OF PHYSICS (2014)
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Sander Pronk et al.
BIOINFORMATICS (2013)
On the nature and origin of dicationic, charge-separated species formed in liquid water on X-ray irradiation
Stephan Thuermer et al.
NATURE CHEMISTRY (2013)
The Variable Polarization XUV Beamline P04 at PETRA III: Optics, mechanics and their performance
Jens Viefhaus et al.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT (2013)
Ultrafast charge delocalization dynamics in aqueous electrolytes: New insights from Auger electron spectroscopy
Niklas Ottosson et al.
CHEMICAL PHYSICS LETTERS (2012)
Ion Association in AlCl3 Aqueous Solutions from Constrained First-Principles Molecular Dynamics
Emilie Cauet et al.
INORGANIC CHEMISTRY (2012)
Aqueous solutions of divalent chlorides: Ions hydration shell and water structure
F. Bruni et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
Debashree Ghosh et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements
Iradwikanari Waluyo et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
Haibo Yu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions
Karen M. Callahan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Charge Dependence of Solvent-Mediated Intermolecular Coster-Kronig Decay Dynamics of Aqueous Ions
G. Ohrwall et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Current Status of the AMOEBA Polarizable Force Field
Jay W. Ponder et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Auger Electron Spectroscopy as a Probe of the Solution of Aqueous Ions
Wandared Pokapanich et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)
Andrew T. B. Gilbert et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Al(III) hydration revisited. An ab initio quantum mechanical charge field molecular dynamics study
Thomas S. Hofer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Photoemission from liquid aqueous solutions
B Winter et al.
CHEMICAL REVIEWS (2006)
Specific ion effects at the air/water interface
P Jungwirth et al.
CHEMICAL REVIEWS (2006)
Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
G Lamoureux et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Interface identification by non-local autoionization transitions
Silko Barth et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Direct observation of electron dynamics in the attosecond domain
A Föhlisch et al.
NATURE (2005)
Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations
B Winter et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Full valence band photoemission from liquid water using EUV synchrotron radiation
B Winter et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Mechanism of interatomic Coulombic decay in clusters -: art. no. 263002
V Averbukh et al.
PHYSICAL REVIEW LETTERS (2004)
Polarizable atomic multipole water model for molecular mechanics simulation
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Experimental evidence for interatomic Coulombic decay in Ne clusters -: art. no. 203401
S Marburger et al.
PHYSICAL REVIEW LETTERS (2003)
Coagulation by hydrolysing metal salts
JM Duan et al.
ADVANCES IN COLLOID AND INTERFACE SCIENCE (2003)
Anomalous natural linewidth in the 2p photoelectron spectrum of SiF4 -: art. no. 223001
TD Thomas et al.
PHYSICAL REVIEW LETTERS (2002)
Charge-transfer dynamics studied using resonant core spectroscopies
PA Brühwiler et al.
REVIEWS OF MODERN PHYSICS (2002)
Ultrafast electron dynamics at surfaces probed by resonant Auger spectroscopy
W Wurth et al.
CHEMICAL PHYSICS (2000)