Definition of the hydrogen bond (IUPAC Recommendations 2011)

E. Arunan, Gautam R. Desiraju, Roger A. Klein, +11

Pure and Applied Chemistry

Chemical BondHydrogen BondHydrogen-bonded LiquidPhilosophy Of ChemistryExperimental Knowledge +3

Defining the hydrogen bond: An account (IUPAC Technical Report)

E. Arunan, Gautam R. Desiraju, Roger A. Klein, +11

Pure and Applied Chemistry

EngineeringNatural SciencesChemical BondHydrogen BondPhysical Chemistry +7

Simulations of H₂O Solid, Liquid, and Clusters, with an Emphasis on Ferroelectric Ordering Transition in Hexagonal Ice

V. Buch, P. Sandler, Joanna Sadlej

The Journal of Physical Chemistry B

EngineeringComputational ChemistryChemistryMolecular DynamicsH2o Ice +19

Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory

Robert Bukowski, Joanna Sadlej, Bogumił Jeziorski, +5

The Journal of Chemical Physics

EngineeringCarbon Dioxide DimerComputational ChemistryChemistrySapt Level +14

Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles

J. Paul Devlin, Nevin Uras, Joanna Sadlej, +1

Nature

Hydrogen ChlorideChemical EngineeringIce ParticlesEngineeringIon Exchange +9

Theoretical Study of Structure and Spectra of Cage Clusters (H₂O)<i>_n</i>, <i>n</i> = 7−10

Joanna Sadlej, V. Buch, Jan K. Kazimirski, +1

The Journal of Physical Chemistry A

Optimal StructuresCluster ScienceTheoretical StudyPhysicsCage Clusters +12

Infrared Spectra of Large H₂O Clusters:  New Understanding of the Elusive Bending Mode of Ice

J. Paul Devlin, Joanna Sadlej, V. Buch

The Journal of Physical Chemistry A

EngineeringPolar EnvironmentsComputational ChemistryChemistryMolecular Dynamics +25

Solvation and Ionization Stages of HCl on Ice Nanocrystals

V. Buch, Joanna Sadlej, Nevin Aytemiz-Uras, +1

The Journal of Physical Chemistry A

Adsorption SitesHcl SolvationChemical EngineeringEngineeringIon Exchange +12

The asymmetric cage structure of (H2O)7 from a combined spectroscopic and computational study

Jesko Brudermann, Mario Melzer, U. Buck, +3

The Journal of Chemical Physics

EngineeringAsymmetric Cage StructureComputational ChemistryChemistrySpectra-structure Correlation +17

Vibrational spectra of water complexes with H2, N2, and CO

Joanna Sadlej, Brad Rowland, J. Paul Devlin, +1

The Journal of Chemical Physics

EngineeringComputational ChemistryChemistrySpectra-structure CorrelationMolecular Spectroscopy +15