Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers.
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Brooks H. Pate | Cristobal Perez | Daniel P. Zaleski | Nathan A. Seifert | Zbigniew Kisiel | Berhane Temelso | George C. Shields | G. Shields | B. Temelso | C. Pérez | B. Pate | D. Zaleski | Z. Kisiel
[1] Jer-Lai Kuo,et al. Dissociation of hydrogen fluoride in HF(H(2)O)(7). , 2004, The Journal of chemical physics.
[2] S. Xantheas,et al. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theory. , 2013, The Journal of chemical physics.
[3] U. Buck,et al. Structure and Spectra of Three-Dimensional ( H 2 O ) n Clusters, n = 8 , 9 , 10 , 1998 .
[4] J. Watson,et al. Least-Squares Mass-Dependence Molecular Structures. , 1999, Journal of molecular spectroscopy.
[5] G. Shields,et al. Accurate predictions of water cluster formation, (H₂O)(n=2-10). , 2010, The journal of physical chemistry. A.
[6] Nobuyuki Akai,et al. The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory. , 2005, Physical chemistry chemical physics : PCCP.
[7] J. Skinner,et al. The water hexamer: three-body interactions, structures, energetics, and OH-stretch spectroscopy at finite temperature. , 2012, The Journal of chemical physics.
[8] J. Skinner,et al. Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute HOD in liquid D2O , 2007, Proceedings of the National Academy of Sciences.
[9] Richard J. Saykally,et al. Terahertz Laser Spectroscopy of the Water Pentamer: Structure and Hydrogen Bond Rearrangement Dynamics , 1997 .
[10] Volodymyr Babin,et al. Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase. , 2012, The journal of physical chemistry letters.
[11] Joel M. Bowman,et al. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer. , 2011, The Journal of chemical physics.
[12] L. Ojamäe,et al. A theoretical study of water clusters: the relation between hydrogen-bond topology and interaction energy from quantum-chemical computations for clusters with up to 22 molecules. , 2005, Physical chemistry chemical physics : PCCP.
[13] R. Hentschke,et al. Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials , 2003 .
[14] K. Jordan,et al. Resonant ion-dip infrared spectroscopy of benzene–(water)9: Expanding the cube , 2000 .
[15] Brooks H. Pate,et al. Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy , 2012, Science.
[16] Krzysztof Szalewicz,et al. Predictions of the Properties of Water from First Principles , 2007, Science.
[17] P. Pieniazek,et al. Robust three-body water simulation model. , 2011, The Journal of chemical physics.
[18] R. Saykally,et al. Vibration-Rotation Tunneling Spectra of the Water Pentamer: Structure and Dynamics , 1996, Science.
[19] S. Xantheas,et al. Identifying the most stable networks in polyhedral water clusters , 2008 .
[20] Krzysztof Szalewicz,et al. Towards the complete understanding of water by a first-principles computational approach , 2009 .
[21] K. Jordan,et al. Infrared Spectrum of a Molecular Ice Cube: The S4 and D2d Water Octamers in Benzene-(Water)8 , 1997 .
[22] Z. Kisiel. Least-squares mass-dependence molecular structures for selected weakly bound intermolecular clusters , 2003 .
[23] L. Shi,et al. Hydrogen Bonding and OH-Stretch Spectroscopy in Water: Hexamer (Cage), Liquid Surface, Liquid, and Ice. , 2013, The journal of physical chemistry letters.
[24] Brooks H. Pate,et al. Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer , 2013 .
[25] T. Urbič,et al. Strength of hydrogen bonds of water depends on local environment. , 2012, The Journal of chemical physics.
[26] Mark R. Viant,et al. Terahertz Laser Vibration-Rotation Tunneling Spectroscopy of the Water Tetramer , 1997 .
[27] J. Kraitchman. Determination of Molecular Structure from Microwave Spectroscopic Data , 1953 .
[28] U. Buck,et al. Theoretical Study of Structure and Spectra of Cage Clusters (H2O)n,n= 7-10 , 1999 .
[29] H. Eugene Stanley,et al. Effect of hydrogen bond cooperativity on the behavior of water , 2008, Proceedings of the National Academy of Sciences.
[30] T. Rizzo,et al. Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide , 2012, Science.