Hydrogen bonding in cubic(H2O)8andOH∙(H2O)7clusters
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- Type
- article
- Published
- 2005-01-19
- Cited by
- 9
- References
- 42
- OpenAlex
- https://openalex.org/W15974906
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:92513862
Keywords
Ab initio, Hydrogen bond, Impurity, Formalism (music), Hydrogen
References
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- A Computational Study of the Hydration of the OH Radical
- Polyhedral water clusters, II: correlations of connectivity parameters with electronic energy and hydrogen bond lengths
- Infrared Spectrum of a Molecular Ice Cube: The S4 and D2d Water Octamers in Benzene-(Water)8
- Structure and Dynamics of Orientational Defects in Ice
- Correlation energy in LiH, BH, and HF with many‐body perturbation theory using slater‐type atomic orbitals
- Residual Entropy of Ice
- Graph invariants for periodic systems: towards predicting physical properties from the hydrogen bond topology of ice.
- The water-hydroxyl radical complex: A matrix isolation study.
- Graph Theoretical Generation and Analysis of Hydrogen-Bonded Structures with Applications to the Neutral and Protonated Water Cube and Dodecahedral Clusters
- Point defects and electrical properties of ice
- Polyhedral water clusters, I: Formal consequences of the ice rules
- Theoretical study of small water clusters : low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20
- Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅OH): The 2A‘ and 2A’ minima
- Potential models for simulations of the solvated proton in water
- Mechanism of proton transfer in ice. II. Hydration, modes, and transport
- The origin of sticking between a hydroperoxy radical and a water surface.
Cited by
- Production et caractérisation d'agrégats moléculaires protonés contenant un nombre donné de molécules d'eau auprès de dispositif DIAM
- A short overview of the state of the art and perspectives on the main basic factors hindering the development of photocatalytic treatment of water
- Structural evolution and solvation of the OH radical in ionized water radical cations (H2O)n(+), n = 5-8.
- Identifying the most stable networks in polyhedral water clusters
- Understanding electronic properties of water: a theoretical approach to the calculation of the adiabatic band gap of liquid water
- Hydrogen bond topology: order/disorder transitions in ice and the behavior of defects in a disordered ice lattice
- Structure, stability, infrared spectra, and bonding of OHm(H2O)7 (m = 0, ±1) clusters: ab initio study combining the particle swarm optimization algorithm.
- Heterogeneous Reaction of Peroxyacetyl Nitrate on Real-World PM2.5 Aerosols: Kinetics, Influencing Factors, and Atmospheric Implications.
- Wohin geht das Proton? Struktur und Dynamik der Wasserstoffbrückenbindungsschaltung in Aminophosphinchalkogeniden
- O-O hemi-bonding in cationic water clusters: Benchmarks from DFT, PNO-LCCSD(T), and FN-DMC.
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