Revealing isomerism in sodium-water clusters: Photoionization spectra of Na(H2O)n (n = 2–90)

A stable compound of helium and sodium at high pressure

(2017) Xiao Dong et al.   Nature Chemistry

Water cluster fragmentation probed by pickup experiments

(2016) Chuanfu Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

(2016) Ondrej Marsalek et al.   JOURNAL OF CHEMICAL PHYSICS

Proton transfer in acetaldehyde–water clusters mediated by a single water molecule

(2016) Oleg Kostko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New particle formation in the free troposphere: A question of chemistry and timing

(2016) F. Bianchi et al.   SCIENCE

Probing Methanol Cluster Growth by Vacuum Ultraviolet Ionization

(2015) Biswajit Bandyopadhyay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Angle-Resolved Photoemission of Solvated Electrons in Sodium-Doped Clusters

(2015) Adam H. C. West et al.   Journal of Physical Chemistry Letters

Reactivity of Hydrated Electron in Finite Size System: Sodium Pickup on Mixed N2O–Water Nanoparticles

(2015) Daniela Šmídová et al.   Journal of Physical Chemistry Letters

Coulomb explosion during the early stages of the reaction of alkali metals with water

(2015) Philip E. Mason et al.   Nature Chemistry

“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer

(2015) Thomas Spura et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Experimental and modelling study of speciation and benzene formation pathways in premixed 1-hexene flames

(2015) A. Nawdiyal et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

High Pressure Electrides: A Predictive Chemical and Physical Theory

(2014) Mao-Sheng Miao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Size-Resolved Infrared Spectroscopic Study of Structural Transitions in Sodium-Doped (H2O)n Clusters Containing 10–100 Water Molecules

(2014) Florian Zurheide et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Infrared detection of (H2O)20 isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster

(2014) Christoph C. Pradzynski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A size resolved investigation of large water clusters

(2014) Udo Buck et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sodium doped hydrogen bonded clusters: Solvated electrons and size selection

(2013) Thomas Zeuch et al.   CHEMICAL PHYSICS LETTERS

Direct Measurements of Conformer-Dependent Reactivity of the Criegee Intermediate CH3CHOO

(2013) C. A. Taatjes et al.   SCIENCE

Direct Observations of Atmospheric Aerosol Nucleation

(2013) M. Kulmala et al.   SCIENCE

Generating Efficient Quantum Chemistry Codes for Novel Architectures

(2012) Alexey V. Titov et al.   Journal of Chemical Theory and Computation

Nucleation of Mixed Nitric Acid–Water Ice Nanoparticles in Molecular Beams that Starts with a HNO3 Molecule

(2012) Jozef Lengyel et al.   Journal of Physical Chemistry Letters

Structural diversity in sodium doped water trimers

(2012) Richard M. Forck et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sodium-doping as a reference to study the influence of intracluster chemistry on the fragmentation of weakly-bound clusters upon vacuum ultraviolet photoionization

(2012) Jessica H. Litman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Fully Size-Resolved Perspective on the Crystallization of Water Clusters

(2012) C. C. Pradzynski et al.   SCIENCE

Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy

(2012) C. Perez et al.   SCIENCE

The effect of microhydration on ionization energies of thymine

(2011) Kirill Khistyaev et al.   FARADAY DISCUSSIONS

Accelerating the convergence of path integral dynamics with a generalized Langevin equation

(2011) Michele Ceriotti et al.   JOURNAL OF CHEMICAL PHYSICS

Sodium Microsolvation in Ethanol: Common Features of Na(HO-R)n(R = H, CH3, C2H5) Clusters

(2011) Richard M. Forck et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Sizer for Neutral Weakly Bound Ultrafine Aerosol Particles Based on Sodium Doping and Mass Spectrometric Detection

(2011) Bruce L. Yoder et al.   Journal of Physical Chemistry Letters

Revisiting Li+(H2O)3–4Ar1 Clusters: Evidence of High-Energy Conformers from Infrared Spectra

(2011) Oscar Rodriguez et al.   Journal of Physical Chemistry Letters

Size resolved infrared spectroscopy of Na(CH3OH)n (n = 4–7) clusters in the OH stretching region: unravelling the interaction of methanol clusters with a sodium atom and the emergence of the solvated electron

(2011) Richard M. Forck et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photoelectron spectroscopy of hydrated electrons

(2010) Alexander T. Shreve et al.   CHEMICAL PHYSICS LETTERS

Communications: Observation of two classes of isomers of hydrated electrons in sodium-water clusters

(2010) Richard M. Forck et al.   JOURNAL OF CHEMICAL PHYSICS

Can theory quantitatively model stratospheric photolysis? Ab initio estimate of absolute absorption cross sections of ClOOCl

(2010) Milan Ončák et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States

(2010) Ondrej Marsalek et al.   Journal of Physical Chemistry C

Binding energies, lifetimes and implications of bulk and interface solvated electrons in water

(2010) Katrin R. Siefermann et al.   Nature Chemistry

Direct measurement of vertical binding energy of a hydrated electron

(2010) Ying Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Time-resolved photoelectron spectroscopy of solvated electrons in aqueous NaI solution

(2010) Andrea Lübcke et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low temperature photoelectron spectra of water cluster anions

(2009) Lei Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

(2009) Ivan S. Ufimtsev et al.   Journal of Chemical Theory and Computation

Hydrolysis of Sodium Atoms on Water−Ice Films. Characterization of Reaction Products and Interfacial Distribution of Sodium and Hydroxide Ions

(2009) Jung-Hwan Kim et al.   Journal of Physical Chemistry C

A sodium atom in a large water cluster: Electron delocalization and infrared spectra

(2008) Lukasz Cwiklik et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium–water and sodium–ammonia

(2007) Ingo Dauster et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS