Theoretical study of small water clusters : low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20

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Cited by

• Hydrogen bonding in cubic(H2O)8andOH∙(H2O)7clustersStephen D. Belair, Joseph S. Francisco, Sherwin J. Singer — 2005
• Porous Lanthanide Coordination Polymers Built With a Podand and its Decomposition Product Oxalate: Identification of Discrete Water Clusters of Different NuclearitySubhadip Neogi, Parimal K. Bharadwaj — 2008
• Synthesis and Structural Characterisation of a Mixed‐valent Cerium Complex Containing a (H2O)38 Cluster>T.K. Prasad, M.V. Rajasekharan — 2008
• Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-(water)8 and benzene2-(water)8Christopher J. Gruenloh, Joel Carney, Fredrick Hagemeister — 1998
• Short H-bonds and spontaneous self-dissociation in (H2O)20: Effects of H-bond topologyJer‐Lai Kuo, Cristian V. Ciobanu, Lars Ojamäe — 2003
• Theoretical studies of CH4(H2O)20, (H2O)21, (H2O)20, and fused dodecahedral and tetrakaidecahedral structures: How do natural gas hydrates form?Arshad Khan — 1999
• Structure and vibrational spectra of H+(H2O)8: Is the excess proton in a symmetrical hydrogen bond?Cristian V. Ciobanu, Lars Ojamäe, Isaiah Shavitt — 2000
• Molecular dynamics simulation of thermodynamic and transport properties of H-bonded low-temperature substancesAliya Tychengulova, A. Aldiyarov, A. Drobyshev — 2015
• Topology-energy relationships and lowest energy configurations for pentagonal dodecahedral (H2O)20X clusters, X = empty, H2O, NH3, H3O+: the importance of O-topology.David J. Anick — 2010
• Structural transitions and dipole moment of water clusters (H2O)(n=4-100).Julián Gelman Constantín, Marcelo A. Carignano, Igal Szleifer — 2010
• Structure, vertical electron-detachment energy, and O–H stretching frequencies of e+(H2O)12Jongseob Kim, Jung Mee Park, Kyung Seok Oh — 1997
• ISOMERIZATION, MELTING, AND POLARITY OF MODEL WATER CLUSTERS : (H2O)6 AND (H2O)8Javier Rodríguez, Daniel Laría, Ernesto Marceca — 1999
• Dissociation of hydrogen fluoride in HF(H(2)O)(7).Jer‐Lai Kuo, Michael L. Klein — 2004
• A cyclic (H2O)4 cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reactionSabbani Supriya, Samar K. Das — 2003
• Structures, energetics and vibrational spectra of (H2O)32 clusters: a journey from model potentials to correlated theoryNityananda Sahu, Subodh S. Khire, Shridhar R. Gadre — 2015
• Theoretical studies of geometric structures of phenol‐water clusters and their infrared absorption spectra in the O–H stretching regionHidekazu Watanabe, Suehiro Iwata — 1996
• Some further applications of discrete path sampling to cluster isomerizationDavid J. Wales — 2004
• Molecular dynamics simulations of solid–liquid phase transition in small water aggregatesAndrei V. Egorov, E. N. Brodskaya, Aatto Laaksonen — 2006
• The structural investigation on small methane clusters described by two different potentialsHiroshi Takeuchi — 2012
• Characteristics of hydrogen bond revealed from water clustersYan Song, Hongshan Chen, Cai‐Rong Zhang — 2014

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