Insights into the dynamics of evaporation and proton migration in protonated water clusters from Large-scale Born-Oppenheimer direct dynamics

Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets

(2011) Ruben Monten et al.   MOLECULAR PHYSICS

An efficient density-functional-theory force evaluation for large molecular systems

(2010) Simen Reine et al.   JOURNAL OF CHEMICAL PHYSICS

Isotope exchange in reactions between D2O and size-selected ionic water clusters containing pyridine, H+(pyridine)m(H2O)n

(2010) Mauritz Johan Ryding et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An ab initio study of the (H[sub 2]O)[sub 20]H[sup +] and (H[sub 2]O)[sub 21]H[sup +] water clusters

(2009) Tomasz Kuś et al.   JOURNAL OF CHEMICAL PHYSICS

Activation energies for evaporation from protonated and deprotonated water clusters from mass spectra

(2009) K. Hansen et al.   JOURNAL OF CHEMICAL PHYSICS

Heat capacities of freely evaporating charged water clusters

(2009) A. E. K. Sundén et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of the Accuracy of Density Functionals for Prediction of Relative Energies and Geometries of Low-Lying Isomers of Water Hexamers

(2008) Erin E. Dahlke et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Special Pair Dance and Partner Selection: Elementary Steps in Proton Transport in Liquid Water

(2008) Omer Markovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Isotope exchange and structural rearrangements in reactions between size-selected ionic water clusters, H3O+(H2O)n and NH4+(H2O)n, and D2O

(2008) Patrik Urban Andersson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS