Theoretical study of the (H2O)6 cluster (original) (raw)
Theoretical Investigation of the H 3 O + (H 2 O) 4 Cluster
Kenneth D. Jordan
The Journal of Physical Chemistry A, 2001
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Theoretical Characterization of the (H2O) 21 Cluster: Application of an n-body Decomposition Procedure
Kenneth D. Jordan
The Journal of Physical Chemistry B, 2006
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Structures, Energetics, and Vibrational Spectra of H 2 O 2 ···(H 2 O) n , n = 1−6 Clusters: Ab Initio Quantum Chemical Investigations
Dr. Anant D . Kulkarni
J Phys Chem a, 2005
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The structure and the thermochemical properties of the H[sub 3][sup +](H[sub 2])[sub n] clusters (n=8–12)
M. Barbatti, Marco Antonio C Nascimento
The Journal of Chemical Physics, 2001
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Theoretical studies of O2?:(H2O)n clusters
Carlos A Melendres
Journal of Computational Chemistry, 1986
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Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms
Kwang Soo Kim
The Journal of Chemical Physics, 2006
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Structures and Energetics of F-(H2O)n, n = 1-3 Clusters from ab Initio Calculations
Thom Dunning
The Journal of Physical Chemistry, 1994
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Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies
Joel Mallory
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Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results
Kenneth D. Jordan
The journal of physical chemistry. A, 2013
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Transition states for hydride-water (H–)(H2O)n clusters, n=2–6, 20
David Anick
Journal of Molecular Structure: THEOCHEM, 2009
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An ab initio study of the (H[sub 2]O)[sub 20]H[sup +] and (H[sub 2]O)[sub 21]H[sup +] water clusters
Rodney Bartlett
The Journal of Chemical Physics, 2009
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Infrared Signature of Structures Associated with the H+ (H2O) n (n= 6 to 27) Clusters
Kenneth D. Jordan
Science, 2004
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Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters
Kenneth D. Jordan
The Journal of Chemical Physics, 2010
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Vibrational spectroscopy of (SO[sub 4][sup 2−])⋅(H[sub 2]O)[sub n] clusters, n=1–5: Harmonic and anharmonic calculations and experiment
Galina Chaban
The Journal of Chemical Physics, 2007
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Structure and Stability of Water Clusters (H 2 O) n , n = 8−20: An Ab Initio Investigation
Dr. Anant D . Kulkarni
The Journal of Physical Chemistry A, 2001
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Melting behavior of the (H2O)6 and (H2O)8 clusters
Kenneth D. Jordan
Chemical Physics, 1998
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Isomeric structures and energies of H[sub n][sup +] clusters (n=13, 15, and 17)
Ginette Jalbert
The Journal of Chemical Physics, 2000
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Molecular clusters of hydrogen, deuterium, and tritium- Especially cationic species H 3 (+)(H 2) m: m= 2, 5 and 14
J.a Alonso
2003
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Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies
Petr Čársky
Theoretica Chimica Acta, 1979
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Structure of Co(H2)n+ Clusters, for n = 1-6
Philippe MAITRE
The Journal of Physical Chemistry, 1995
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Structure and Energetics of Ionized Water Clusters:(H2O) n+, n= 2-5
Uzi Landman
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Theoretical study of structure and stability of h+x (h2)n clusters
Kimihiko Hirao
Chemical Physics Letters, 1981
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Electrical field effects on dipole moment, structure and energetic of (H< sub> 2 O)< i> n(2⩽< i> n⩽ 15) cluster
Zuy Magriotis
2009
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Theoretical studies of structures and stabilization energies of (H2O) 26,(H2O) 27 and (H2O) 28 pentakaidecahedral clusters
Arshad Khan
Chemical physics letters, 1996
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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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The structure, stability, thermochemistry, and bonding in SO3-(H2O)n (n=1–7) clusters: a computational analysis
Suvitha Venkataramanan
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Site-specific vibrational spectral signatures of water molecules in the magic H 3 O + (H 2 O) 20 and Cs + (H 2 O) 20 clusters
Mark Johnson
Proceedings of the National Academy of Sciences, 2014
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Fourfold clusters of rovibrational energies in H2Te studied with an ab initio potential energy function
Per Jensen
Chemical Physics, 1995
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Structure of V(H2)n+ Clusters for n = 1-6
Philippe MAITRE
The Journal of Physical Chemistry, 1995
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Hydrogen-Bond Networks in Water Clusters (H 2 O) 20 : An Exhaustive Quantum-Chemical Analysis
Andrei Tchougreeff
ChemPhysChem, 2010
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Ab initio investigations on neutral hydrogen peroxide clusters:(H2O2) n (n= 2-4)
Libero Bartolotti
Chemical physics letters, 2003
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The structure of para-hydrogen clusters
David Ceperley, Jesús Navarro
The European Physical Journal D, 2010
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The DFT study of hydrogen bonding and thermodynamic parameters of (CH3OH)n(H2O)m (n, m=1–8) clusters at different temperatures
Mahdi Rezaei Sameti
Arabian Journal of Chemistry, 2016
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Hydrogen and Hydrogen Clusters Across Disciplines
Javier Martinez
Science and Technology of Atomic, Molecular, Condensed Matter & Biological Systems, 2010
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Ab Initio Study of the Isomeric Equilibrium of the HCN��������� H2O and H2O��������� HCN Hydrogen-Bonded Clusters
J. Riveros
2006
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