Proton transfer or hemibonding? The structure and stability of radical cation clusters

Ionization dynamics of the water trimer: A direct ab initio MD study

(2013) Hiroto Tachikawa et al.   CHEMICAL PHYSICS

Characterization of a Solvent-Separated Ion-Radical Pair in Cationized Water Networks: Infrared Photodissociation and Ar-Attachment Experiments for Water Cluster Radical Cations (H2O)n+ (n = 3–8)

(2013) Kenta Mizuse et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structure and Bonding in Ionized Water Clusters

(2013) Hainam Do et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural optimization of molecular clusters with density functional theory combined with basin hopping

(2012) Hainam Do et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen Bonding in Neutral and Cation Dimers of H2Se with H2O, H2S, and H2Se

(2012) Ravi Joshi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ionization of Water Clusters Mediated by Exciton Energy Transfer from Argon Clusters

(2012) Amir Golan et al.   Journal of Physical Chemistry Letters

Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation

(2012) Piin-Ruey Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study

(2012) Ming-Kang Tsai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hemibonding of Hydroxyl Radical and Halide Anion in Aqueous Solution

(2011) Makoto Yamaguchi   JOURNAL OF PHYSICAL CHEMISTRY A

Hemibonding between Hydroxyl Radical and Water

(2011) Daniel M. Chipman   JOURNAL OF PHYSICAL CHEMISTRY A

Water trimer cation

(2011) Han Myoung Lee et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structural trends of ionized water networks: Infrared spectroscopy of watercluster radical cations (H2O)n+ (n = 3–11)

(2011) Kenta Mizuse et al.   Chemical Science

Spectroscopic signatures of proton transfer dynamics in the water dimer cation

(2010) Eugene Kamarchik et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling Charge Resonance in Cationic Molecular Clusters: Combining DFT-Tight Binding with Configuration Interaction

(2010) Mathias Rapacioli et al.   Journal of Chemical Theory and Computation

Water Dimer Cation: Density Functional Theory vs Ab Initio Theory

(2009) Han Myoung Lee et al.   Journal of Chemical Theory and Computation

Water Dimer Radical Cation: Structures, Vibrational Frequencies, and Energetics

(2009) Qianyi Cheng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ammonia−Water Cation and Ammonia Dimer Cation

(2009) Hahn Kim et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spectroscopic Study of the Ion−Radical H-Bond in H4O2+†

(2009) George H. Gardenier et al.   JOURNAL OF PHYSICAL CHEMISTRY A

LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst

(2009) Alex J. W. Thom et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photoexcitation and Photoionization Dynamics of Water Photolysis

(2008) Anupriya Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic Structure of the Water Dimer Cation

(2008) Piotr A. Pieniazek et al.   JOURNAL OF PHYSICAL CHEMISTRY A