Structure and some properties of small water clusters (original) (raw)

Water Clusters: Towards an Understanding Based on First Principles of Their Static and Dynamic Properties

Jesus Ugalde

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Molecular-dynamics simulations of water clusters

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Small Water Clusters: The Cases of Rare Gas-Water, Alkali Ion-Water and Water Dimer

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Structural Mathematical Models of Water Clusters Regarding the Energy of Hydrogen Bonding

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A size resolved investigation of large water clusters

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Structural properties of small clusters in the Water vapor

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Formation of Water Clusters in a Hydrophobic Solvent

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Local Structure and Work of Formation of Water Clusters Studied by Molecular Dynamics Simulations

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Clusters of Coarse-Grained Water Molecules

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Structural Models of Water and Structuring of Nano-clusters Regarding the Energies of Hydrogen Bonds

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Hydrogen Bond Energies in Formation of Water Molecule Clusters

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Structures of small water clusters using gradient-corrected density functional theory

Kari Laasonen

Chemical Physics Letters, 1993

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Isomerization, melting, and polarity of model water clusters: (H[sub 2]O)[sub 6] and (H[sub 2]O)[sub 8]

Dario Estrin

The Journal of Chemical Physics, 1999

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A Theoretical Study on the Formation, Binding Energy and Monomer Dipole Moment of Small Water Cluster Systems

Melanie David

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Structure and vibrational spectra of small water clusters from first principles simulations

Jianmin Yuan Yuan

The Journal of Chemical Physics, 2010

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Quantum Calculations on Hydrogen Bonds in Certain Water Clusters Show Cooperative Effects

Vasiliy S Znamenskiy

Journal of Chemical Theory and Computation, 2007

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Theoretical characterization of structural and energetical properties of water clusters, by means of a simple polarizable water Hamiltonian

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Structural transitions and dipole moment of water clusters (H2O)n=4–100

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Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility

E. Noya, Carlos Vega

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Water clusters: Untangling the mysteries of the liquid, one molecule at a time

Richard Saykally

Proceedings of the National Academy of Sciences, 2001

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Structures of Cl−(H2O)n and F−(H2O)n (n=2,3,...,15) clusters. Molecular dynamics computer simulations

Lalith Perera

The Journal of Chemical Physics, 1994

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Structure and Stability of Water Clusters (H 2 O) n , n = 8−20: An Ab Initio Investigation

Shridhar Gadre, S. Sathyamurthy

The Journal of Physical Chemistry A, 2001

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Global minima of water clusters (H2O)n, n≤21, described by an empirical potential

David Wales

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Protonated water clusters described by an empirical valence bond potential

David Wales

The Journal of Chemical Physics, 2005

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New Evidence of the Existence of Associative Elements of Water (Clusters)

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GW and Bethe-Salpeter study of small water clusters

Xavier Blase

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Stability of water clusters: Implication for atmospheric hydrated clusters and aerosols

Sung-Ho Salk

Atmospheric Environment (1967)

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Low-Lying Structures and Stabilities of Large Water Clusters: Investigation Based on the Combination of the AMOEBA Potential and Generalized Energy-Based Fragmentation Approach

Weijie Hua

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Simulations of vapor water clusters at vapor–liquid equilibrium

Peter Ahlstrom

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Towards Understanding the Origin and Nature of the Conformational Stability of Water Clusters:a Density Functional Theory and Quantum Molecular Dynamics Study

Shubin Liu

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First Principles Examination of the Acetylene−Water Clusters, HCCH−(H2O)x, x = 2, 3, and 4

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Collisions of Molecules with Clusters: A Quasiclassical Study

Ziya Guvenc

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First Principles Examination of the Acetylene−Water Clusters, HCCH−(H 2 O) x , x = 2, 3, and 4

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